UCSF

ZINC35368384

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3S)-3-[4-(3-amino-4-pyridyl)piperazin-1-yl]azepan-2-one (3S)-3-[4-(3-amino-4-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) 0.27 1.63 -35.31 4 6 1 76 290.391 2 ↓
Mid Mid (pH 6-8) 0.27 3.86 -85.08 5 6 2 77 291.399 2 ↓

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Rings

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

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