UCSF

ZINC53342381

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 18 Yes

Popular Name: N-butyl-N'-cycloheptyl-N-cyclopropyl-ethane-1,2-diamine N-butyl-N'-cycloheptyl-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) 4.34 9.94 -111.71 3 2 2 21 254.462 8 ↓
Hi High (pH 8-9.5) 4.34 8.79 -30.63 2 2 1 16 253.454 8 ↓
Mid Mid (pH 6-8) 4.34 7.87 -36.4 2 2 1 20 253.454 8 ↓

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

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