UCSF

ZINC67967477

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine N-[(1S)-1-(1-methylimidazol-2-yl…

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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) 3.27 10.87 -91.39 4 6 2 73 364.497 6 ↓
Hi High (pH 8-9.5) 3.27 8.88 -11.79 2 6 0 68 362.481 6 ↓
Hi High (pH 8-9.5) 3.27 10.21 -46.97 3 6 1 72 363.489 6 ↓

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

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