UCSF

ZINC41201268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.54 9.71 -31 2 2 1 29 297.447 3
Mid Mid (pH 6-8) 3.54 8.15 -5.95 1 2 0 25 296.439 3
Lo Low (pH 4.5-6) 3.54 9.57 -95.64 3 2 2 31 298.455 3

Activity (Go SEA)

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