UCSF

ZINC19475821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 10 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) -0.88 1.74 -52.07 2 3 1 37 139.178 0
Mid Mid (pH 6-8) -0.88 0.36 -10.9 1 3 0 32 138.17 0

Activity (Go SEA)

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