UCSF

ZINC19558369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 31 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) 3.61 7.73 -7.79 0 5 0 38 417.553 9
Mid Mid (pH 6-8) 3.61 9.92 -49.98 1 5 1 39 418.561 9
Lo Low (pH 4.5-6) 3.61 10.07 -40.55 1 5 1 39 418.561 9
Lo Low (pH 4.5-6) 3.61 10.52 -113.44 2 5 2 40 419.569 9

Activity (Go SEA)

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