UCSF

ZINC19842343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 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) 2.71 9.11 -40.4 1 3 1 21 296.438 5
Mid Mid (pH 6-8) 2.71 9.1 -38.98 1 3 1 21 296.438 5
Mid Mid (pH 6-8) 2.71 6.79 -4.95 0 3 0 19 295.43 5
Lo Low (pH 4.5-6) 2.71 9.54 -85.42 2 3 2 22 297.446 5

Activity (Go SEA)

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