UCSF

ZINC69264124

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 Yes

Popular Name: N'-cycloheptyl-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine N'-cycloheptyl-N-(cyclopropylmet…

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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) 3.78 9.25 -113.85 3 2 2 21 240.435 7 ↓
Hi High (pH 8-9.5) 3.78 8.03 -31.38 2 2 1 16 239.427 7 ↓
Mid Mid (pH 6-8) 3.78 7.15 -37.17 2 2 1 20 239.427 7 ↓

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

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