UCSF

ZINC36125593

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Popular Name: 2-(2-hydroxyethyl)-8-(2-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione 2-(2-hydroxyethyl)-8-(2-pyridylm…

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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) 0.19 5.13 -31.06 1 7 0 90 348.362 4 ↓
Lo Low (pH 4.5-6) 0.19 5.53 -55.71 2 7 1 91 349.37 4 ↓

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

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