UCSF

ZINC43601152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 0.49 2.72 -44.68 2 4 1 40 214.333 5
Mid Mid (pH 6-8) 0.49 4.93 -96.6 3 4 2 41 215.341 5

Activity (Go SEA)

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