In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 14 | 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) | -0.29 | 4.53 | -37.71 | 3 | 3 | 0 | 68 | 217.627 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.29 | 4.21 | -41.49 | 2 | 3 | -1 | 66 | 216.619 | 3 | ↓ |