UCSF

ZINC45510598

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 17 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) 0.10 3.07 -55.39 3 5 1 74 238.311 3
Hi High (pH 8-9.5) 0.10 0.83 -14.77 2 5 0 72 237.303 3

Activity (Go SEA)

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