UCSF

ZINC14982575

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 1.66 4.52 -10.98 4 6 0 104 252.281 1
Mid Mid (pH 6-8) 1.66 4.84 -26.98 5 6 1 105 253.289 1
Mid Mid (pH 6-8) 1.66 0.77 -31.78 5 6 1 105 253.289 1

Activity (Go SEA)

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