UCSF

ZINC34553176

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.84 3.63 -45.63 3 4 1 63 210.253 6
Hi High (pH 8-9.5) 0.84 3.19 -9.01 2 4 0 62 209.245 6

Activity (Go SEA)

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