UCSF

ZINC53499575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 Yes

Popular Name: N-butyl-N'-cyclopentyl-N-cyclopropyl-propane-1,3-diamine N-butyl-N'-cyclopentyl-N-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) 3.60 9.8 -100.02 3 2 2 21 240.435 9 ↓
Mid Mid (pH 6-8) 3.60 7.72 -36.17 2 2 1 20 239.427 9 ↓

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

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