In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 19 | 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) | 1.93 | 3.59 | -61.11 | 2 | 5 | -1 | 89 | 264.301 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 4.38 | -106.16 | 1 | 5 | -2 | 92 | 263.293 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 2.47 | -23.09 | 3 | 5 | 0 | 87 | 265.309 | 8 | ↓ |