UCSF

ZINC19857046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) 1.68 4.73 -9.82 2 5 0 66 320.274 4
Mid Mid (pH 6-8) 1.68 4.09 -33.98 2 5 0 70 320.274 4
Mid Mid (pH 6-8) 1.68 5.21 -31.62 3 5 1 68 321.282 4
Mid Mid (pH 6-8) 1.68 3.62 -39.78 1 5 -1 68 319.266 4
Lo Low (pH 4.5-6) 1.68 4.48 -40.27 3 5 1 68 321.282 4

Activity (Go SEA)

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