UCSF

ZINC62950344

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 Yes

Popular Name: (1S)-1-(6-methyl-3-pyridyl)-2-(4-pyridyl)ethanamine (1S)-1-(6-methyl-3-pyridyl)-2-(4…

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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) -1.24 4.12 -50.72 3 3 1 53 214.292 3 ↓
Mid Mid (pH 6-8) -1.24 3.78 -7.04 2 3 0 52 213.284 3 ↓
Lo Low (pH 4.5-6) -1.24 4.54 -116.74 4 3 2 55 215.3 3 ↓

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

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