In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 22 | 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) | 2.46 | 6.61 | -35.57 | 2 | 5 | 1 | 53 | 310.324 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 5.71 | -14.22 | 1 | 5 | 0 | 52 | 309.316 | 4 | ↓ |