UCSF

ZINC66073099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 33 Yes

Popular Name: (5S)-7-amino-2-[(3-fluorophenyl)methylsulfanyl]-5'-methyl-2',4-dioxo-spiro[3,8-dihydropyrido[2,3-d]p (5S)-7-amino-2-[(3-fluorophenyl)…

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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) 3.87 6.39 -24.3 3 8 0 140 459.486 3 ↓
Mid Mid (pH 6-8) 3.54 7.28 -13.72 4 8 0 135 460.494 3 ↓
Mid Mid (pH 6-8) 3.41 8.13 -17 4 8 0 137 460.494 3 ↓
Mid Mid (pH 6-8) 3.54 7.3 -13.89 4 8 0 135 460.494 3 ↓
Lo Low (pH 4.5-6) 3.54 7.21 -21.14 5 8 0 136 461.502 3 ↓

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

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