UCSF

ZINC20260286

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 Yes

Popular Name: (1S,2R)-N'-isopropyl-N'-methyl-tetralin-1,2-diamine (1S,2R)-N'-isopropyl-N'-methyl-t…

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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) 0.63 4.2 -39.54 3 2 1 31 219.352 2 ↓
Hi High (pH 8-9.5) 0.63 4.35 -2.04 2 2 0 29 218.344 2 ↓
Mid Mid (pH 6-8) 0.63 6.27 -34.13 3 2 1 30 219.352 2 ↓
Mid Mid (pH 6-8) 0.63 6.51 -117.96 4 2 2 32 220.36 2 ↓

Activity (Go SEA)

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