In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 18 | 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) | 1.26 | 3.07 | -46.38 | 3 | 4 | 1 | 63 | 244.318 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 2.66 | -7.44 | 2 | 4 | 0 | 61 | 243.31 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.26 | 3.53 | -88.19 | 4 | 4 | 2 | 64 | 245.326 | 6 | ↓ |