UCSF

ZINC28248902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 40 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) 9.53 17.83 -212.27 7 4 3 64 566.04 10
Hi High (pH 8-9.5) 9.53 17.25 -113.4 6 4 2 60 565.032 10

Activity (Go SEA)

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