UCSF

ZINC33767543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 2.52 8.96 -51.52 0 8 -1 108 457.491 6
Lo Low (pH 4.5-6) 2.52 7.66 -20.97 1 8 0 106 458.499 6

Activity (Go SEA)

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