UCSF

ZINC33583355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 37 No

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) 4.96 11.49 -51.82 0 7 -1 89 492.555 7
Lo Low (pH 4.5-6) 4.50 13.84 -11.96 1 7 0 86 493.563 7

Activity (Go SEA)

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