UCSF

ZINC13404257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 26 No

Popular Name: 2-nitro-N-[7-(2-nitroethylideneamino)pyrido[3,2-g]quinolin-3-yl]ethanimine 2-nitro-N-[7-(2-nitroethylidenea…

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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) 1.36 6.9 -39.68 0 10 -1 148 351.302 5 ↓
Mid Mid (pH 6-8) 1.64 6.35 -17.38 0 10 0 142 352.31 6 ↓
Mid Mid (pH 6-8) 1.08 7.45 -69.3 0 10 -2 154 350.294 4 ↓
Mid Mid (pH 6-8) 1.36 4.29 -22.16 1 10 0 145 352.31 5 ↓
Mid Mid (pH 6-8) 1.36 3.96 -21.44 1 10 0 145 352.31 5 ↓
Lo Low (pH 4.5-6) 1.64 6.22 -45.94 1 10 1 143 353.318 6 ↓
Lo Low (pH 4.5-6) 1.64 6.06 -17.04 0 10 0 142 352.31 6 ↓
Lo Low (pH 4.5-6) 1.64 5.74 -16.51 0 10 0 142 352.31 6 ↓
Lo Low (pH 4.5-6) 1.64 6.38 -16.93 0 10 0 142 352.31 6 ↓

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

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