UCSF

ZINC20898809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 17 No

Popular Name: (4S)-3-methyl-4-(3-thienyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(3-thienyl)-4,8-…

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) 1.30 4.25 -7.07 2 4 0 58 265.363 1 ↓
Mid Mid (pH 6-8) 1.30 4.25 -8.6 2 4 0 58 265.363 1 ↓
Mid Mid (pH 6-8) 1.48 1.78 -9.19 2 4 0 61 265.363 1 ↓

Activity (Go SEA)

Rings

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