In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 13 | Yes |
Popular Name: (3R)-3-[methyl(thiazol-4-ylmethyl)amino]butanenitrile (3R)-3-[methyl(thiazol-4-ylmethy…
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) | 0.70 | 3.11 | -9.36 | 0 | 3 | 0 | 40 | 195.291 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 5.21 | -39.49 | 1 | 3 | 1 | 41 | 196.299 | 4 | ↓ |