UCSF

ZINC07915610

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 24 Yes

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) 4.02 10.1 -45.12 2 5 1 60 392.273 7
Hi High (pH 8-9.5) 3.84 9.52 -34.4 1 5 0 66 391.265 7
Hi High (pH 8-9.5) 4.02 7.85 -9.1 1 5 0 59 391.265 7

Activity (Go SEA)

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