UCSF

ZINC35367873

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-(5-amino-2-pyridyl)piperazin-1-yl]azepan-2-one (3S)-3-[4-(5-amino-2-pyridyl)pip…

Find On: PubMed — Wikipedia — Google

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 1.94 -30.61 4 6 1 76 290.391 2 ↓
Mid Mid (pH 6-8) 0.69 4.18 -88.62 5 6 2 77 291.399 2 ↓
Mid Mid (pH 6-8) 0.69 3.87 -37.23 4 6 1 76 290.391 2 ↓
Mid Mid (pH 6-8) 0.69 1.63 -10.2 3 6 0 74 289.383 2 ↓

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Rings

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

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