UCSF

ZINC13122245

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 No

Popular Name: 3-[(2-oxoindol-3-yl)amino]-1-phenethyl-thiourea 3-[(2-oxoindol-3-yl)amino]-1-phe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 7.55 -12.62 3 5 0 69 324.409 6 ↓
Ref Reference (pH 7) 4.25 5.72 -21.44 3 5 0 75 324.409 5 ↓
Hi High (pH 8-9.5) 3.75 5.61 -43.29 2 5 -1 72 323.401 6 ↓
Hi High (pH 8-9.5) 4.25 7.48 -49.37 2 5 -1 78 323.401 5 ↓
Hi High (pH 8-9.5) 4.25 6.49 -44.76 2 5 -1 78 323.401 5 ↓
Hi High (pH 8-9.5) 4.25 5.95 -43.35 2 5 -1 78 323.401 5 ↓
Hi High (pH 8-9.5) 4.25 7.31 -49.04 2 5 -1 78 323.401 5 ↓
Lo Low (pH 4.5-6) 4.25 5.21 -38.91 3 5 0 75 324.409 5 ↓
Lo Low (pH 4.5-6) 4.25 6.15 -34.4 4 5 1 76 325.417 5 ↓
Lo Low (pH 4.5-6) 4.25 5.49 -22.96 3 5 0 75 324.409 5 ↓
Lo Low (pH 4.5-6) 4.25 4.81 -29.97 4 5 1 76 325.417 5 ↓
Lo Low (pH 4.5-6) 4.25 3.75 -21.64 3 5 0 75 324.409 5 ↓
Lo Low (pH 4.5-6) 4.25 5.91 -34.69 4 5 1 76 325.417 5 ↓
Lo Low (pH 4.5-6) 4.25 5.08 -33.22 3 5 0 75 324.409 5 ↓
Lo Low (pH 4.5-6) 4.25 4.63 -29.24 4 5 1 76 325.417 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )