UCSF

ZINC35368004

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-2-pyridyl)piperazin-1-yl]azepan-2-one (3S)-3-[4-(3-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) 0.47 2.28 -32.33 4 6 1 76 290.391 2 ↓
Mid Mid (pH 6-8) 0.47 4.52 -88.31 5 6 2 77 291.399 2 ↓
Mid Mid (pH 6-8) 0.47 4.05 -33.95 4 6 1 76 290.391 2 ↓
Mid Mid (pH 6-8) 0.47 1.82 -10.15 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.