UCSF

ZINC62979637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) -0.46 -1.11 -42.77 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.46 0.72 -34.57 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.46 1.02 -115.81 4 4 2 45 215.341 3
Mid Mid (pH 6-8) -0.46 1.09 -89.89 4 4 2 45 215.341 3

Activity (Go SEA)

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