UCSF

ZINC33701243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 4.70 12.67 -44.05 0 5 -1 64 439.535 6
Lo Low (pH 4.5-6) 4.70 11.54 -16.39 1 5 0 61 440.543 6

Activity (Go SEA)

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