UCSF

ZINC33541406

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 5.30 15.07 -60.48 0 6 -1 79 496.583 11
Lo Low (pH 4.5-6) 5.30 13.78 -21.69 1 6 0 76 497.591 11

Activity (Go SEA)

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