UCSF

ZINC69844846

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (1S)-1-(4-amino-3-pyridyl)-2-(4-pyridyl)ethanol (1S)-1-(4-amino-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) -0.18 1.47 -39.61 4 4 1 73 216.264 3 ↓
Hi High (pH 8-9.5) -0.18 1 -9.23 3 4 0 72 215.256 3 ↓
Lo Low (pH 4.5-6) -0.18 1.93 -80.99 5 4 2 75 217.272 3 ↓

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Rings

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

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