UCSF

ZINC61376681

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-[(S)-(1-methylimidazol-2-yl)-(2-thienyl)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) 1.35 6.68 -81.06 3 5 2 45 310.467 9 ↓
Hi High (pH 8-9.5) 1.35 3.73 -8.98 1 5 0 42 308.451 9 ↓
Mid Mid (pH 6-8) 1.35 5.97 -39.36 2 5 1 44 309.459 9 ↓
Mid Mid (pH 6-8) 1.35 4.25 -27.9 2 5 1 44 309.459 9 ↓

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Rings

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

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