UCSF

ZINC40445232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 1.13 0.83 -8.73 3 6 0 95 287.319 2
Mid Mid (pH 6-8) 1.59 -0.96 -46.66 2 6 -1 98 286.311 2

Activity (Go SEA)

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

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