UCSF

ZINC40750478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) -0.76 1 -101.49 5 4 2 62 216.325 5
Mid Mid (pH 6-8) -0.76 1 -27.26 4 4 1 60 215.317 5
Mid Mid (pH 6-8) -0.76 -0.9 -40.52 4 4 1 60 215.317 5

Activity (Go SEA)

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