UCSF

ZINC69844831

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 No

Popular Name: N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(R)-(4-chlorophenyl)-cyclopro…

Find On: PubMed — Wikipedia — Google

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) 3.73 7.18 -39.97 2 5 -1 81 384.868 4 ↓
Mid Mid (pH 6-8) 3.27 8.5 -13.68 3 5 0 78 385.876 4 ↓

Activity (Go SEA)

Rings

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

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