UCSF

ZINC37818465

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Substance Information

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

Popular Name: 2-(cyclopropylamino)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone 2-(cyclopropylamino)-1-[4-(3-pyr…

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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) -0.13 4.05 -42.99 2 5 1 53 275.376 5 ↓
Hi High (pH 8-9.5) -0.13 2.77 -10.56 1 5 0 48 274.368 5 ↓
Mid Mid (pH 6-8) -0.13 6.26 -105.66 3 5 2 54 276.384 5 ↓

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Rings

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