UCSF

ZINC67431942

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: N-[(1R)-1-methyl-2-(3-methyl-2-pyridyl)ethyl]-2-(3-pyridyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin N-[(1R)-1-methyl-2-(3-methyl-2-p…

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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) 2.77 8.19 -48.22 3 6 1 80 361.473 5 ↓
Hi High (pH 8-9.5) 2.77 6.83 -10.38 2 6 0 76 360.465 5 ↓
Mid Mid (pH 6-8) 2.77 8.56 -101.32 4 6 2 81 362.481 5 ↓

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

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