UCSF

ZINC19863926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 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) 2.61 5.53 -49.12 1 5 1 39 348.854 4
Mid Mid (pH 6-8) 2.61 2.55 -9.84 0 5 0 38 347.846 4
Mid Mid (pH 6-8) 2.61 4.89 -48.11 1 5 1 39 348.854 4

Activity (Go SEA)

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