UCSF

ZINC33675072

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 5.52 14.57 -57.63 0 4 -1 60 424.52 6
Lo Low (pH 4.5-6) 5.52 13.28 -16.03 1 4 0 58 425.528 6

Activity (Go SEA)

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