UCSF

ZINC62849157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

Popular Name: [4-(cyclopropylmethyl)piperazin-1-yl]-(4-propyl-4-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) 1.77 7.73 -95.1 3 4 2 41 295.471 5 ↓
Mid Mid (pH 6-8) 1.77 5.49 -41.88 2 4 1 40 294.463 5 ↓

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Rings

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

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