In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: 2-[1-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]cyclohexyl]acetic 2-[1-[[(3-hydroxypyridine-2-carb…
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) | 1.59 | 3.7 | -50.87 | 2 | 6 | -1 | 102 | 291.327 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 6.15 | -83.23 | 2 | 6 | -1 | 106 | 291.327 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 4.67 | -49.36 | 2 | 6 | -1 | 102 | 291.327 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 5.68 | -102.7 | 1 | 6 | -2 | 105 | 290.319 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 2.7 | -11.4 | 3 | 6 | 0 | 100 | 292.335 | 5 | ↓ |