UCSF

ZINC61456230

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 13 Yes

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

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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) 1.54 6.99 -108.78 3 2 2 21 184.327 6 ↓
Hi High (pH 8-9.5) 1.54 5.69 -33.54 2 2 1 16 183.319 6 ↓
Mid Mid (pH 6-8) 1.54 4.66 -33.93 2 2 1 20 183.319 6 ↓

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

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