UCSF

ZINC43700085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -2.78 3.53 -79.02 4 5 1 85 210.257 5
Mid Mid (pH 6-8) -2.78 1.57 -33 3 5 0 84 209.249 5
Mid Mid (pH 6-8) -2.78 2.28 -69.3 4 5 1 85 210.257 5

Activity (Go SEA)

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