UCSF

ZINC45692623

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.80 7.19 -33.32 2 4 1 38 295.447 10
Mid Mid (pH 6-8) 2.80 7.68 -36.66 2 4 1 35 295.447 10
Lo Low (pH 4.5-6) 2.80 8.94 -110.69 3 4 2 40 296.455 10

Activity (Go SEA)

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