In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 28 | 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) | -4.51 | 0.28 | -165.46 | 10 | 12 | 0 | 232 | 402.452 | 13 | ↓ |
Hi High (pH 8-9.5) | -4.51 | -0.05 | -122.73 | 9 | 12 | -1 | 230 | 401.444 | 13 | ↓ |