In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 16 | No |
Popular Name: (2R)-3-amino-2-methyl-N-[2-(2-pyridyl)ethyl]-3-thioxo-propanamide (2R)-3-amino-2-methyl-N-[2-(2-py…
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) | -0.29 | 2.23 | -18.25 | 3 | 4 | 0 | 68 | 237.328 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.29 | 2.58 | -47.8 | 4 | 4 | 1 | 69 | 238.336 | 5 | ↓ |