In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | No |
Popular Name: (2R)-3-[(5-chloro-2-pyridyl)-methyl-amino]-2-methyl-propanethioamide (2R)-3-[(5-chloro-2-pyridyl)-met…
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) | 1.65 | 4.95 | -8.06 | 2 | 3 | 0 | 42 | 243.763 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 5.29 | -33.8 | 3 | 3 | 1 | 43 | 244.771 | 4 | ↓ |