UCSF

ZINC53382050

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 Yes

Popular Name: N-cyclopentyl-N'-[(1R)-1-cyclopropylethyl]-N-ethyl-ethane-1,2-diamine N-cyclopentyl-N'-[(1R)-1-cyclopr…

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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) 3.10 8.42 -110.02 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.10 7.23 -30.59 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.10 6.43 -35.86 2 2 1 20 225.4 7 ↓

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

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