UCSF

ZINC20126941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.65 6.44 -38.05 2 3 1 29 276.429 5
Hi High (pH 8-9.5) 2.65 3.92 -5.99 1 3 0 28 275.421 5
Lo Low (pH 4.5-6) 2.65 7.75 -116.96 3 3 2 34 277.437 5

Activity (Go SEA)

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