In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 16 | 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) | -2.51 | -2.43 | -51.59 | 5 | 6 | 1 | 99 | 223.256 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.32 | -3.71 | -54.39 | 4 | 6 | 0 | 105 | 222.248 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.51 | -2.81 | -7.93 | 4 | 6 | 0 | 97 | 222.248 | 5 | ↓ |