UCSF

ZINC13127793

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 Yes

Popular Name: (3Z)-3-[hydroxy-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]methylene]-5,6,7,8-tetrahydro-1H-quinoline-2, (3Z)-3-[hydroxy-[(5-propyl-1,3,4…

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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) 1.88 1.11 -54.45 2 7 -1 114 333.393 4 ↓
Hi High (pH 8-9.5) 1.83 1.41 -126.06 0 7 -2 114 332.385 4 ↓
Hi High (pH 8-9.5) 1.83 1.41 -125.79 0 7 -2 114 332.385 4 ↓
Mid Mid (pH 6-8) 1.88 4.21 -147.59 1 7 -2 117 332.385 4 ↓
Lo Low (pH 4.5-6) 1.81 5.66 -61.37 2 7 -1 111 333.393 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.