UCSF

ZINC61379617

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 Yes

Popular Name: N-(2-methoxyethyl)-N-methyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-N'-t…

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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) 1.80 6.04 -39.25 2 4 1 39 266.39 7 ↓
Hi High (pH 8-9.5) 1.80 4.04 -30.03 2 4 1 39 266.39 7 ↓
Mid Mid (pH 6-8) 1.80 3.68 -7.51 1 4 0 37 265.382 7 ↓
Lo Low (pH 4.5-6) 1.80 6.4 -94.29 3 4 2 40 267.398 7 ↓

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Rings

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

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