UCSF

ZINC43975929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.89 3.86 -102.72 3 5 2 49 276.421 9
Hi High (pH 8-9.5) 0.89 0.88 -3.64 1 5 0 43 274.405 9
Hi High (pH 8-9.5) 0.89 1.73 -30.45 2 5 1 48 275.413 9
Mid Mid (pH 6-8) 0.89 2.92 -27.69 2 5 1 44 275.413 9

Activity (Go SEA)

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