UCSF

ZINC20122087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Popular Name: (1R)-1-(2-furyl)-N,N-dimethyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (1R)-1-(2-furyl)-N,N-dimethyl-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) 2.64 6.27 -38.84 2 3 1 33 251.394 5 ↓
Hi High (pH 8-9.5) 2.64 7.03 -31.6 2 3 1 30 251.394 5 ↓
Mid Mid (pH 6-8) 2.64 8.43 -125.7 3 3 2 34 252.402 5 ↓

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

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