UCSF

ZINC43401044

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.31 6.98 -36.4 4 4 1 68 269.372 5
Mid Mid (pH 6-8) 1.31 8.39 -6.67 3 4 0 66 268.364 5
Lo Low (pH 4.5-6) 1.31 7.38 -91.39 5 4 2 69 270.38 5

Activity (Go SEA)

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