In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | Yes |
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) | 2.52 | 3.13 | -15.6 | 2 | 4 | 0 | 59 | 221.256 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 4.15 | -60.93 | 1 | 4 | -1 | 61 | 220.248 | 4 | ↓ |