UCSF

ZINC43912596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 2.59 5.81 -41.67 2 4 1 38 295.447 11
Hi High (pH 8-9.5) 2.59 5.68 -3 1 4 0 34 294.439 11
Mid Mid (pH 6-8) 2.59 7.42 -112.25 3 4 2 40 296.455 11

Activity (Go SEA)

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