UCSF

ZINC20122048

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: (1R)-N'-[(4-dimethylaminophenyl)methyl]-1-(2-furyl)-N,N-dimethyl-ethane-1,2-diamine (1R)-N'-[(4-dimethylaminophenyl)…

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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) 2.47 7.63 -33.63 2 4 1 33 288.415 7 ↓
Hi High (pH 8-9.5) 2.47 4.91 -4.98 1 4 0 32 287.407 7 ↓
Mid Mid (pH 6-8) 2.47 6.78 -41.34 2 4 1 36 288.415 7 ↓
Lo Low (pH 4.5-6) 2.47 8.94 -125.55 3 4 2 37 289.423 7 ↓

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

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