UCSF

ZINC37080926

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Popular Name: (1S)-N'-cyclopropyl-N'-methyl-1-(1-naphthyl)ethane-1,2-diamine (1S)-N'-cyclopropyl-N'-methyl-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) 0.98 7.98 -33.36 3 2 1 30 241.358 4 ↓
Hi High (pH 8-9.5) 0.98 6.28 -43.13 3 2 1 31 241.358 4 ↓
Mid Mid (pH 6-8) 0.98 8.39 -130.44 4 2 2 32 242.366 4 ↓

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