UCSF

ZINC44629423

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -0.35 8.61 -65.04 1 6 0 68 283.372 5
Mid Mid (pH 6-8) -0.35 6.3 -47.8 0 6 -1 67 282.364 5

Activity (Go SEA)

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