UCSF

ZINC02654057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 34 No

Popular Name: (4R)-3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1-phenyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-o (4R)-3-(4-tert-butylphenyl)-4-(4…

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) 6.89 14.47 -8.89 1 4 0 47 488.056 4 ↓
Lo Low (pH 4.5-6) 7.06 14.65 -28.41 2 4 1 52 489.064 4 ↓

Activity (Go SEA)

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