In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 24 | No |
Popular Name: 2-[(2S)-2-chloro-2-cyano-ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide 2-[(2S)-2-chloro-2-cyano-ethyl]-…
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) | 4.30 | 10.23 | -13.34 | 1 | 4 | 0 | 66 | 355.85 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.36 | 9.32 | -41.15 | 0 | 4 | -1 | 72 | 354.842 | 4 | ↓ |