In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone [4-[(2-methylthiazol-4-yl)methyl…
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) | 0.01 | 2.77 | -40.64 | 2 | 5 | 1 | 53 | 295.432 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 4.99 | -95.7 | 3 | 5 | 2 | 54 | 296.44 | 3 | ↓ |