UCSF

ZINC20120668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.86 2.18 -6.72 2 4 0 45 292.423 6
Mid Mid (pH 6-8) 1.86 3.87 -43.02 3 4 1 49 293.431 6
Lo Low (pH 4.5-6) 1.86 4.6 -34.95 3 4 1 46 293.431 6
Lo Low (pH 4.5-6) 1.86 5.71 -122.6 4 4 2 51 294.439 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.