UCSF

ZINC40770380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 1.98 7.69 -82.92 3 4 2 34 278.444 5
Hi High (pH 8-9.5) 1.98 7.25 -33.12 2 4 1 33 277.436 5
Hi High (pH 8-9.5) 1.98 3.81 -4.63 1 4 0 31 276.428 5
Hi High (pH 8-9.5) 1.98 6.2 -25.54 2 4 1 33 277.436 5
Mid Mid (pH 6-8) 1.98 6.72 -34.42 2 4 1 33 277.436 5

Activity (Go SEA)

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