UCSF

ZINC44659953

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 0.83 1.2 -53.57 4 4 1 66 215.317 6
Mid Mid (pH 6-8) 0.83 0.97 -8.38 3 4 0 64 214.309 6

Activity (Go SEA)

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