UCSF

ZINC19210593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 21 No

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) 0.71 6.14 -42.33 1 5 1 45 288.371 2
Ref Reference (pH 7) 0.71 6.36 -46.22 1 5 1 45 288.371 2
Mid Mid (pH 6-8) 0.71 6.21 -46.38 1 5 1 45 288.371 2
Mid Mid (pH 6-8) 0.71 3.77 -10.98 0 5 0 44 287.363 2
Mid Mid (pH 6-8) 0.71 4 -10.44 0 5 0 44 287.363 2

Activity (Go SEA)

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