UCSF

ZINC33582786

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 27 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) 2.63 8.71 -44.97 0 6 -1 86 441.286 4
Lo Low (pH 4.5-6) 2.63 7.42 -16.96 1 6 0 83 442.294 4

Activity (Go SEA)

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