UCSF

ZINC43705362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) -0.39 2.62 -47.39 2 5 1 61 204.246 6
Mid Mid (pH 6-8) -0.39 1.25 -7.75 1 5 0 57 203.238 6

Activity (Go SEA)

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