UCSF

ZINC65437081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2011 20 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) 0.67 3.79 -56.77 3 6 1 76 297.404 4
Mid Mid (pH 6-8) 0.67 1.6 -17.74 2 6 0 74 296.396 4

Activity (Go SEA)

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