UCSF

ZINC19785169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 16 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 1.61 -42.85 3 3 1 40 225.287 3
Lo Low (pH 4.5-6) 0.57 3.94 -119.02 4 3 2 41 226.295 3

Activity (Go SEA)

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