UCSF

ZINC19596926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 20 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) 0.87 4.32 -57.84 1 6 0 77 297.38 3
Mid Mid (pH 6-8) 0.87 1.92 -46.5 0 6 -1 76 296.372 3

Activity (Go SEA)

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