In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | Yes |
Popular Name: (3S)-1-[2-(4-phenylthiazol-2-yl)ethyl]piperidin-3-amine (3S)-1-[2-(4-phenylthiazol-2-yl)…
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) | 1.75 | 4.96 | -47.04 | 3 | 3 | 1 | 44 | 288.44 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 7.25 | -119.45 | 4 | 3 | 2 | 45 | 289.448 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 6.93 | -41.37 | 3 | 3 | 1 | 43 | 288.44 | 4 | ↓ |