UCSF

ZINC37816798

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Popular Name: (2R)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenyl-ethanone (2R)-2-amino-1-[4-(cyclopropylme…

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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) -0.46 4 -8.02 2 4 0 50 273.38 4 ↓
Mid Mid (pH 6-8) -0.46 4.32 -43.33 3 4 1 51 274.388 4 ↓
Mid Mid (pH 6-8) -0.46 6.2 -46.11 3 4 1 51 274.388 4 ↓
Mid Mid (pH 6-8) -0.46 6.53 -105.62 4 4 2 52 275.396 4 ↓

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Rings

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