UCSF

ZINC33781006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 37 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) 5.95 14.57 -43.28 0 6 -1 79 496.583 12
Lo Low (pH 4.5-6) 5.95 13.44 -20.07 1 6 0 76 497.591 12

Activity (Go SEA)

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