UCSF

ZINC69117138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 No

Popular Name: 2-sulfanyl-7-[(2S)-2-(2-thienyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one 2-sulfanyl-7-[(2S)-2-(2-thienyl)…

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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) 2.25 6.13 -37.49 1 5 -1 72 356.452 2 ↓
Mid Mid (pH 6-8) 1.80 7.47 -15.01 2 5 0 69 357.46 2 ↓

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

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