UCSF

ZINC65164058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 20 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) 1.41 6.84 -46.38 2 5 1 59 272.328 3
Mid Mid (pH 6-8) 1.41 6.37 -13.22 1 5 0 58 271.32 3
Mid Mid (pH 6-8) 1.41 6.38 -16.89 1 5 0 58 271.32 3

Activity (Go SEA)

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

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