UCSF

ZINC71589530

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 28 Yes

Popular Name: (2S)-N-[[2-methoxy-5-oxo-6-[2-(2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-2-(methylamino (2S)-N-[[2-methoxy-5-oxo-6-[2-(2…

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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) 0.13 3.1 -48.06 3 8 1 101 384.46 8 ↓
Hi High (pH 8-9.5) 0.13 1.76 -17.15 2 8 0 96 383.452 8 ↓
Lo Low (pH 4.5-6) 0.13 3.45 -84.87 4 8 2 102 385.468 8 ↓

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

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