UCSF

ZINC37112667

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-ethyl-N-[(1R)-1-methylpropyl]ethane-1,2-diamine (1R)-1-(5-bromo-2,3-dihydro-1,4-…

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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) 2.76 6.61 -121.33 4 4 2 51 359.308 6 ↓
Mid Mid (pH 6-8) 2.76 5.03 -49.92 3 4 1 49 358.3 6 ↓
Mid Mid (pH 6-8) 2.76 6.38 -31.8 3 4 1 49 358.3 6 ↓

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