In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | No |
Popular Name: (2R)-3-[(2-chloro-4-fluoro-phenyl)methyl-methyl-amino]-2-methyl-propanethioamide (2R)-3-[(2-chloro-4-fluoro-pheny…
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) | 2.17 | 7.21 | -40.66 | 3 | 2 | 1 | 30 | 275.8 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 5.11 | -7.25 | 2 | 2 | 0 | 29 | 274.792 | 5 | ↓ |