In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 18 | No |
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) | 1.26 | 6.1 | -42.56 | 2 | 4 | 1 | 51 | 253.366 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 3.92 | -9.5 | 1 | 4 | 0 | 49 | 252.358 | 3 | ↓ |