UCSF

ZINC53384201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 Yes

Popular Name: N-[(1S)-1-cyclopropylethyl]-N'-(3-furylmethyl)-N-methyl-ethane-1,2-diamine N-[(1S)-1-cyclopropylethyl]-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) 1.67 5.68 -33.83 2 3 1 30 223.34 7 ↓
Hi High (pH 8-9.5) 1.67 3.27 -2.82 1 3 0 28 222.332 7 ↓
Mid Mid (pH 6-8) 1.67 7.04 -114.34 3 3 2 34 224.348 7 ↓
Mid Mid (pH 6-8) 1.67 4.63 -39.34 2 3 1 33 223.34 7 ↓

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

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