UCSF

ZINC53495754

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 Yes

Popular Name: (2S)-N1-cyclopentyl-N2-(cyclopropylmethyl)-N2-propyl-propane-1,2-diamine (2S)-N1-cyclopentyl-N2-(cyclopro…

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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) 3.61 9.66 -113.43 3 2 2 21 240.435 8 ↓
Hi High (pH 8-9.5) 3.61 8.47 -29.86 2 2 1 16 239.427 8 ↓
Mid Mid (pH 6-8) 3.61 7.75 -33.41 2 2 1 20 239.427 8 ↓

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

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