UCSF

ZINC23371526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.02 5.36 -63.95 0 8 -1 106 415.447 7
Mid Mid (pH 6-8) 3.02 5.94 -42.6 1 8 0 107 416.455 7
Mid Mid (pH 6-8) 3.02 5.29 -20.36 1 8 0 104 416.455 7

Activity (Go SEA)

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

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