In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 24 | Yes |
Popular Name: N-[(1S)-1-[6-hydroxy-2-(3-pyridyl)pyrimidin-4-yl]-2-methyl-propyl]-2,2-dimethyl-propanamide N-[(1S)-1-[6-hydroxy-2-(3-pyridy…
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) | 3.18 | 5.01 | -16.52 | 2 | 6 | 0 | 88 | 328.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 4.15 | -45.63 | 1 | 6 | -1 | 91 | 327.408 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 5.47 | -56.91 | 3 | 6 | 1 | 89 | 329.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.