UCSF

ZINC69683979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 14 Yes

Popular Name: (3S)-N-pyridazin-3-ylazepan-3-amine (3S)-N-pyridazin-3-ylazepan-3-amine

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) 0.52 3.13 -93.76 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 3.13 -90.8 4 4 2 56 194.282 2 ↓
Mid Mid (pH 6-8) 0.52 2.96 -49.71 3 4 1 54 193.274 2 ↓

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Rings

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

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