UCSF

ZINC03999785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 21 Yes

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) -0.11 -1.79 -72.32 0 6 -1 82 285.279 3
Lo Low (pH 4.5-6) -0.11 -1.67 -87.9 1 6 0 83 286.287 3

Activity (Go SEA)

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