UCSF

ZINC61377184

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: N'-(2-methoxyethyl)-N'-methyl-N-[[3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine N'-(2-methoxyethyl)-N'-methyl-N-…

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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) 0.86 4.13 -39.39 3 6 1 68 293.391 9 ↓
Hi High (pH 8-9.5) 0.86 1.68 -6.73 2 6 0 66 292.383 9 ↓
Lo Low (pH 4.5-6) 0.86 5.48 -112.44 4 6 2 72 294.399 9 ↓
Lo Low (pH 4.5-6) 0.86 3.07 -38.19 3 6 1 71 293.391 9 ↓

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Rings

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

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