UCSF

ZINC21963900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.13 3.52 -35.76 3 4 1 46 234.323 4
Mid Mid (pH 6-8) 1.13 2.31 -39.61 3 4 1 49 234.323 4
Mid Mid (pH 6-8) 1.13 4.84 -112.05 4 4 2 50 235.331 4
Mid Mid (pH 6-8) 1.13 1.03 -8.61 2 4 0 44 233.315 4
Mid Mid (pH 6-8) 1.13 1.05 -5.21 2 4 0 44 233.315 4
Mid Mid (pH 6-8) 1.13 2.3 -37.78 3 4 1 49 234.323 4
Lo Low (pH 4.5-6) 1.13 4.78 -109.35 4 4 2 50 235.331 4

Activity (Go SEA)

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