UCSF

ZINC42572970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) -0.63 -0.81 -43.65 5 5 1 86 216.305 5
Mid Mid (pH 6-8) -0.63 -1.11 -7.61 4 5 0 84 215.297 5

Activity (Go SEA)

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