UCSF

ZINC09421968

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 Yes

Popular Name: 9-benzyl-7,7-dioxo-8-(4-pyridylmethyl)-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10-ol 9-benzyl-7,7-dioxo-8-(4-pyridylm…

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) 2.15 -6.02 -15.37 1 5 0 70 380.469 4 ↓
Lo Low (pH 4.5-6) 2.15 -5.91 -43.88 2 5 1 71 381.477 4 ↓

Activity (Go SEA)

Rings

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