UCSF

ZINC13542210

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.09 3.89 -99.65 7 10 -1 198 289.268 11
Hi High (pH 8-9.5) -5.13 3.63 -111.47 6 10 -2 198 288.26 10
Hi High (pH 8-9.5) -5.09 3.58 -106.05 6 10 -2 196 288.26 11
Lo Low (pH 4.5-6) -5.09 -0.05 -88.84 8 10 0 195 290.276 11
Lo Low (pH 4.5-6) -5.09 -0.04 -89.72 8 10 0 195 290.276 11
Lo Low (pH 4.5-6) -5.13 1.93 -73.08 8 10 0 197 290.276 10
Lo Low (pH 4.5-6) -5.13 1.92 -82.26 8 10 0 197 290.276 10

Activity (Go SEA)

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