In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | No |
Popular Name: 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-6-methyl-pyridine-3-carbothioamide 2-[[(2R)-1-ethylpyrrolidin-2-yl]…
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) | 1.50 | 6.78 | -38.89 | 4 | 4 | 1 | 55 | 279.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 4.63 | -10.68 | 3 | 4 | 0 | 54 | 278.425 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 7.1 | -95.71 | 5 | 4 | 2 | 57 | 280.441 | 5 | ↓ |