In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 23rd, 2009 | 17 | 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) | -2.80 | 0.88 | -113.27 | 4 | 7 | -1 | 137 | 245.255 | 8 | ↓ |
Hi High (pH 8-9.5) | -2.80 | 0.56 | -106.5 | 3 | 7 | -2 | 135 | 244.247 | 8 | ↓ |
Lo Low (pH 4.5-6) | -2.80 | -0.24 | -76.88 | 5 | 7 | 0 | 134 | 246.263 | 8 | ↓ |