UCSF

ZINC53429291

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N'-isobutyl-ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-cyclopr…

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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) 2.82 8.89 -107.99 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 2.82 7.36 -29.82 2 2 1 16 225.4 8 ↓
Mid Mid (pH 6-8) 2.82 6.9 -36.3 2 2 1 20 225.4 8 ↓

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

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