UCSF

ZINC40192244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 No

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) 4.55 12.92 -20.11 1 6 0 67 452.558 8
Lo Low (pH 4.5-6) 4.55 13.35 -35.85 2 6 1 68 453.566 8

Activity (Go SEA)

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