UCSF

ZINC40443222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

Other Names:

Aza-C-nucleosides

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) -2.40 -7.94 -22.76 6 8 0 134 266.257 2
Hi High (pH 8-9.5) -2.23 -9.61 -60.69 4 8 -1 134 265.249 2
Mid Mid (pH 6-8) -2.69 -5.76 -76.8 6 8 1 135 267.265 2
Mid Mid (pH 6-8) -2.69 -7.88 -33.35 5 8 0 131 266.257 2
Mid Mid (pH 6-8) -2.40 -7.27 -18.17 6 8 0 134 266.257 2
Mid Mid (pH 6-8) -1.95 -9.29 -53.65 5 8 -1 137 265.249 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.