UCSF

ZINC33701894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 4.36 14.77 -72.97 1 6 0 68 463.622 10
Lo Low (pH 4.5-6) 4.36 13.47 -52.56 2 6 1 65 464.63 10

Activity (Go SEA)

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