UCSF

ZINC51481326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 2.72 8.25 -36.96 2 4 1 42 292.447 6
Mid Mid (pH 6-8) 2.72 8.73 -92.44 3 4 2 43 293.455 6

Activity (Go SEA)

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