UCSF

ZINC33765921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 27 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) 6.89 14.24 -9.73 0 3 0 34 390.533 3
Ref Reference (pH 7) 6.89 12.6 -8.96 0 3 0 34 390.533 3
Lo Low (pH 4.5-6) 6.89 14.56 -25.09 1 3 1 36 391.541 3
Lo Low (pH 4.5-6) 6.89 13.28 -26.66 1 3 1 36 391.541 3

Activity (Go SEA)

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