UCSF

ZINC08672821

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2007 24 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) -0.18 -4.88 -87.87 3 10 -2 163 324.256 1
Mid Mid (pH 6-8) -0.18 -5.98 -45.09 4 10 -1 160 325.264 1
Lo Low (pH 4.5-6) -0.18 -6.64 -50.25 6 10 1 158 327.28 1
Lo Low (pH 4.5-6) -0.18 -7.07 -29.25 5 10 0 157 326.272 1
Lo Low (pH 4.5-6) -0.18 -5.54 -51.27 5 10 0 161 326.272 1

Activity (Go SEA)

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

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