UCSF

ZINC40181889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 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 15.91 -17.84 0 5 0 47 453.586 8
Mid Mid (pH 6-8) 5.39 16.42 -44.84 1 5 1 49 454.594 8

Activity (Go SEA)

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