In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 32 | 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) | 5.05 | 10.46 | -21.04 | 2 | 6 | 0 | 83 | 446.576 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.05 | 10.53 | -42.3 | 1 | 6 | -1 | 81 | 445.568 | 7 | ↓ |