UCSF

ZINC49478546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 14 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) -0.49 6.21 -183.01 5 4 3 52 199.322 8
Hi High (pH 8-9.5) -0.49 4.36 -42.96 3 4 1 46 197.306 8
Hi High (pH 8-9.5) -0.49 4.34 -48.66 3 4 1 46 197.306 8
Mid Mid (pH 6-8) -0.49 4.87 -78.93 4 4 2 48 198.314 8
Mid Mid (pH 6-8) -0.49 5.69 -126.18 4 4 2 51 198.314 8
Mid Mid (pH 6-8) -0.49 4.86 -93.9 4 4 2 48 198.314 8

Activity (Go SEA)

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