UCSF

ZINC53382007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 Yes

Popular Name: N-cyclopentyl-N-ethyl-N'-(3-furylmethyl)ethane-1,2-diamine N-cyclopentyl-N-ethyl-N'-(3-fury…

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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) 2.25 6.07 -33.33 2 3 1 30 237.367 7 ↓
Hi High (pH 8-9.5) 2.25 3.98 -2.54 1 3 0 28 236.359 7 ↓
Mid Mid (pH 6-8) 2.25 5.35 -40.29 2 3 1 33 237.367 7 ↓
Mid Mid (pH 6-8) 2.25 7.44 -114.95 3 3 2 34 238.375 7 ↓

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

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