In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 25 | 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) | 3.17 | 10.24 | -12.16 | 3 | 6 | 0 | 78 | 335.411 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 10.75 | -32.07 | 4 | 6 | 1 | 79 | 336.419 | 4 | ↓ |