UCSF

ZINC19445625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 23 Yes

Popular Name: N-[(1S)-1-[6-hydroxy-2-(3-pyridyl)pyrimidin-4-yl]-2-methyl-propyl]cyclopropanecarboxamide N-[(1S)-1-[6-hydroxy-2-(3-pyridy…

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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) 2.02 4.58 -17.07 2 6 0 88 312.373 5 ↓
Hi High (pH 8-9.5) 2.47 3.72 -46.54 1 6 -1 91 311.365 5 ↓
Lo Low (pH 4.5-6) 2.02 5.04 -57.3 3 6 1 89 313.381 5 ↓

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

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