UCSF

ZINC35367762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 21 Yes

Popular Name: (3R)-3-[4-(6-amino-3-pyridyl)piperazin-1-yl]azepan-2-one (3R)-3-[4-(6-amino-3-pyridyl)pip…

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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) 0.69 3.9 -36.04 4 6 1 76 290.391 2 ↓
Hi High (pH 8-9.5) 0.69 3.43 -11.03 3 6 0 74 289.383 2 ↓

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

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