UCSF

ZINC53376061

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 14 Yes

Popular Name: N-cyclopropyl-N'-(2-furylmethyl)-N-methyl-ethane-1,2-diamine N-cyclopropyl-N'-(2-furylmethyl)…

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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) 1.15 6.08 -111.35 3 3 2 34 196.294 6 ↓
Hi High (pH 8-9.5) 1.15 2.26 -3.23 1 3 0 28 194.278 6 ↓
Mid Mid (pH 6-8) 1.15 3.64 -39.84 2 3 1 33 195.286 6 ↓
Mid Mid (pH 6-8) 1.15 4.71 -33.64 2 3 1 30 195.286 6 ↓

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

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