In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 16 | Yes |
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) | 2.38 | 8.44 | -36.15 | 1 | 3 | 1 | 21 | 240.396 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 6.86 | -4.76 | 0 | 3 | 0 | 19 | 239.388 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.38 | 8.89 | -86.23 | 2 | 3 | 2 | 22 | 241.404 | 3 | ↓ |