UCSF

ZINC37079967

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Popular Name: (1S)-N'-cyclopropyl-N'-ethyl-1-(2-naphthyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N'-ethyl-1-(…

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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) 1.38 8.78 -31.98 3 2 1 30 255.385 5 ↓
Mid Mid (pH 6-8) 1.38 9.15 -124.57 4 2 2 32 256.393 5 ↓

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

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