UCSF

ZINC53377015

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 1.87 5.71 -34.4 2 3 1 30 223.34 6 ↓
Hi High (pH 8-9.5) 1.87 3.45 -2.89 1 3 0 28 222.332 6 ↓
Mid Mid (pH 6-8) 1.87 7.05 -115.18 3 3 2 34 224.348 6 ↓
Mid Mid (pH 6-8) 1.87 4.81 -39.13 2 3 1 33 223.34 6 ↓

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

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