UCSF

ZINC68948734

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 Yes

Popular Name: N-(cyclopropylmethyl)-N-ethyl-N'-(3-furylmethyl)ethane-1,2-diamine N-(cyclopropylmethyl)-N-ethyl-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) 1.72 6.07 -34.06 2 3 1 30 223.34 8 ↓
Hi High (pH 8-9.5) 1.72 3.67 -2.67 1 3 0 28 222.332 8 ↓
Mid Mid (pH 6-8) 1.72 5.04 -39.65 2 3 1 33 223.34 8 ↓
Mid Mid (pH 6-8) 1.72 7.43 -115.3 3 3 2 34 224.348 8 ↓

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

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