UCSF

ZINC33690432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 4.31 9.45 -13.4 1 6 0 71 476.396 6
Lo Low (pH 4.5-6) 0.65 10.26 -38.02 2 6 1 70 477.404 7

Activity (Go SEA)

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