UCSF

ZINC20898830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 No

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

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) 3.76 9.21 -9.13 2 5 0 67 379.485 4 ↓
Mid Mid (pH 6-8) 3.76 9.21 -11.15 2 5 0 67 379.485 4 ↓
Mid Mid (pH 6-8) 3.95 6.75 -11.58 2 5 0 71 379.485 4 ↓

Activity (Go SEA)

Rings

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