UCSF

ZINC43425457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.39 2.15 -14.57 2 5 0 59 285.413 5
Lo Low (pH 4.5-6) -0.39 4.34 -43.6 3 5 1 60 286.421 5

Activity (Go SEA)

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