UCSF

ZINC34118514

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 20 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) 3.37 10.01 -133.52 0 4 -2 80 276.332 2
Mid Mid (pH 6-8) 3.37 8.05 -46.18 1 4 -1 77 277.34 2
Lo Low (pH 4.5-6) 3.37 6.28 -7 2 4 0 75 278.348 2

Activity (Go SEA)

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