UCSF

ZINC53427372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N-butyl-N-cyclopropyl-N'-[(1R)-1-(2-furyl)ethyl]ethane-1,2-diamine N-butyl-N-cyclopropyl-N'-[(1R)-1…

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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) 3.15 8.76 -110.96 3 3 2 34 252.402 9 ↓
Hi High (pH 8-9.5) 3.15 5.25 -2.75 1 3 0 28 250.386 9 ↓
Mid Mid (pH 6-8) 3.15 6.7 -36.02 2 3 1 33 251.394 9 ↓
Mid Mid (pH 6-8) 3.15 7.58 -33.51 2 3 1 30 251.394 9 ↓

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

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