In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 29 | 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) | 2.33 | 8.41 | -13.41 | 2 | 9 | 0 | 103 | 392.419 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 8.64 | -39.02 | 3 | 9 | 1 | 108 | 393.427 | 5 | ↓ |