UCSF

ZINC52290294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 11 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) 1.15 7.09 -25.6 2 3 1 31 152.221 2
Hi High (pH 8-9.5) 1.15 6.65 -6.9 1 3 0 30 151.213 2

Activity (Go SEA)

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