UCSF

ZINC20745902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 No

Popular Name: (4R)-4-(2-isopropoxyphenyl)-3-methyl-1-pyrimidin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (4R)-4-(2-isopropoxyphenyl)-3-me…

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) 2.58 9.2 -17.05 1 7 0 85 395.488 4 ↓
Ref Reference (pH 7) 2.40 11.7 -16.56 1 7 0 82 395.488 4 ↓

Activity (Go SEA)

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