In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 27 | Yes |
Popular Name: 2-[(2R)-4-[(2-phenylthiazol-5-yl)methyl]-1-(2-thienylmethyl)piperazin-2-yl]ethanol 2-[(2R)-4-[(2-phenylthiazol-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) | 3.65 | 4.89 | -10.57 | 1 | 4 | 0 | 40 | 399.585 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 7.16 | -37.68 | 2 | 4 | 1 | 41 | 400.593 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 7.26 | -51.29 | 2 | 4 | 1 | 41 | 400.593 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.