UCSF

ZINC08767734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 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) 0.36 6.4 -37.01 1 6 -1 78 261.183 3
Mid Mid (pH 6-8) 0.36 6.38 -32.87 1 6 -1 78 261.183 3
Mid Mid (pH 6-8) 0.36 6.26 -33.39 1 6 -1 78 261.183 3
Lo Low (pH 4.5-6) 0.36 6.75 -13.21 2 6 0 80 262.191 3
Lo Low (pH 4.5-6) 0.36 6.91 -8.93 2 6 0 80 262.191 3

Activity (Go SEA)

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

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