UCSF

ZINC33546745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 36 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) 4.38 9.39 -44.67 1 8 -1 112 501.54 7
Lo Low (pH 4.5-6) 4.38 8.26 -22.96 2 8 0 109 502.548 7

Activity (Go SEA)

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