UCSF

ZINC19403339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.34 3.25 -46.47 3 4 1 55 238.307 4
Hi High (pH 8-9.5) -0.34 2.96 -5.23 2 4 0 54 237.299 4

Activity (Go SEA)

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