UCSF

ZINC66828951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2011 18 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) 1.77 9 -13.51 0 4 0 36 244.273 3
Mid Mid (pH 6-8) 1.77 9.52 -39.95 1 4 1 37 245.281 3
Lo Low (pH 4.5-6) 1.77 10.04 -98.61 2 4 2 38 246.289 3

Activity (Go SEA)

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

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