In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | 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) | 2.09 | 6.48 | -55.88 | 3 | 3 | 1 | 61 | 239.298 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 6.21 | -8.23 | 2 | 3 | 0 | 59 | 238.29 | 4 | ↓ |