UCSF

ZINC62857335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 20 Yes

Popular Name: [4-(cyclopropylmethyl)piperazin-1-yl]-[(3R)-3-ethyl-3-piperidyl]methanone [4-(cyclopropylmethyl)piperazin-…

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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) 1.21 7.02 -104.42 3 4 2 41 281.444 4 ↓
Mid Mid (pH 6-8) 1.21 4.78 -43.95 2 4 1 40 280.436 4 ↓

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Rings

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

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