UCSF

ZINC40859757

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) -0.19 1.81 -47.86 4 5 1 83 217.289 6
Mid Mid (pH 6-8) -0.19 1.48 -12.94 3 5 0 81 216.281 6

Activity (Go SEA)

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