UCSF

ZINC35216001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) 0.57 1.15 -9.35 1 6 0 69 286.401 3
Mid Mid (pH 6-8) 0.57 3.3 -44.67 2 6 1 70 287.409 3

Activity (Go SEA)

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