UCSF

ZINC40186264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.39 14.61 -14.03 1 6 0 65 483.612 12
Mid Mid (pH 6-8) 5.39 15.13 -37.74 2 6 1 67 484.62 12

Activity (Go SEA)

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