UCSF

ZINC62949383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: (2S)-2-(6-methyl-3-pyridyl)tetralin-2-amine (2S)-2-(6-methyl-3-pyridyl)tetra…

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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) 2.51 6.61 -45.55 3 2 1 41 239.342 1 ↓
Mid Mid (pH 6-8) 2.51 6.34 -4.69 2 2 0 39 238.334 1 ↓
Mid Mid (pH 6-8) 2.51 6.77 -31.03 3 2 1 40 239.342 1 ↓
Lo Low (pH 4.5-6) 2.51 7.05 -106.38 4 2 2 42 240.35 1 ↓

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

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