UCSF

ZINC19440287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 No

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) -0.38 1.51 -10.98 3 6 0 84 236.275 2
Mid Mid (pH 6-8) -0.38 1.84 -39.42 4 6 1 85 237.283 2

Activity (Go SEA)

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