In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2010 | 18 | Yes |
Popular Name: N-(1,3-benzothiazol-2-ylmethyl)-2-pyrrolidin-1-yl-ethanamine N-(1,3-benzothiazol-2-ylmethyl)-…
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) | 2.09 | 5.9 | -37.28 | 2 | 3 | 1 | 29 | 262.402 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 3.45 | -6.02 | 1 | 3 | 0 | 28 | 261.394 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 7.25 | -117.82 | 3 | 3 | 2 | 34 | 263.41 | 5 | ↓ |