UCSF

ZINC67473249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: 2-[4-(1H-indol-4-ylmethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-[4-(1H-indol-4-ylmethyl)pipera…

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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) 3.00 10.44 -44.04 2 6 0 77 376.46 4 ↓
Mid Mid (pH 6-8) 3.00 12.63 -77.96 3 6 1 78 377.468 4 ↓

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

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