In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2010 | 22 | Yes |
Popular Name: 2-[(2R)-4-[(2-methylthiazol-5-yl)methyl]-1-(3-thienylmethyl)piperazin-2-yl]ethanol 2-[(2R)-4-[(2-methylthiazol-5-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) | 1.13 | 4.17 | -39.11 | 2 | 4 | 1 | 41 | 338.522 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 4.3 | -43.14 | 2 | 4 | 1 | 41 | 338.522 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 2.02 | -7.32 | 1 | 4 | 0 | 40 | 337.514 | 6 | ↓ |