UCSF

ZINC19608715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 2.02 5.85 -38.78 1 4 1 26 330.246 4
Mid Mid (pH 6-8) 2.02 5.66 -34.69 1 4 1 26 330.246 4
Mid Mid (pH 6-8) 2.02 3.37 -5.17 0 4 0 25 329.238 4

Activity (Go SEA)

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