UCSF

ZINC05728037

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 20 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) 3.60 6.62 -16.74 1 4 0 63 288.372 6
Hi High (pH 8-9.5) 4.05 5.77 -45.68 0 4 -1 66 287.364 6
Mid Mid (pH 6-8) 3.60 6.98 -16.58 1 4 0 63 288.372 6

Activity (Go SEA)

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