In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 26 | 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) | 2.02 | 8.81 | -34.13 | 2 | 7 | 0 | 103 | 368.474 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 8.1 | -45.89 | 1 | 7 | -1 | 99 | 367.466 | 9 | ↓ |