UCSF

ZINC43460966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -1.28 -1.31 -40.53 4 5 0 88 271.118 3
Mid Mid (pH 6-8) -1.28 -0.58 -57.15 5 5 1 89 272.126 3

Activity (Go SEA)

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