UCSF

ZINC19471533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -0.70 3.04 -37.93 4 6 1 79 236.299 2
Mid Mid (pH 6-8) -0.70 0.56 -10.57 3 6 0 78 235.291 2

Activity (Go SEA)

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