UCSF

ZINC53125764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 0.83 1.62 -96.58 5 4 2 61 246.395 6
Mid Mid (pH 6-8) 0.83 2.14 -39.18 4 4 1 64 245.387 6
Mid Mid (pH 6-8) 0.83 -0.96 -33.29 4 4 1 60 245.387 6

Activity (Go SEA)

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