UCSF

ZINC53377229

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-benzyl-N-cyclopropyl-N-ethyl-ethane-1,2-diamine N'-benzyl-N-cyclopropyl-N-ethyl-…

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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) 2.27 8.62 -113.97 3 2 2 21 220.36 7 ↓
Mid Mid (pH 6-8) 2.27 7.27 -31.19 2 2 1 16 219.352 7 ↓
Mid Mid (pH 6-8) 2.27 6.2 -40.46 2 2 1 20 219.352 7 ↓

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

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