UCSF

ZINC19481769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) -0.50 1.39 -67.81 3 5 0 89 277.349 4
Mid Mid (pH 6-8) -0.50 1.32 -54.75 4 5 1 87 278.357 4
Lo Low (pH 4.5-6) -0.50 1.83 -85.21 4 5 1 90 278.357 4

Activity (Go SEA)

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