UCSF

ZINC67743413

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 29 Yes

Popular Name: 6-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylamino)-N-[3-(2-pyridyl)propyl]pyridine-3-carboxamid 6-(6,7-dihydro-5H-cyclopenta[b]p…

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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) 2.04 8.16 -13.75 2 6 0 80 387.487 8 ↓
Lo Low (pH 4.5-6) 2.04 8.58 -41.7 3 6 1 81 388.495 8 ↓
Lo Low (pH 4.5-6) 2.04 8.92 -78.53 4 6 2 82 389.503 8 ↓

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

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