In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 33 | 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) | 3.32 | 10.68 | -12.04 | 0 | 6 | 0 | 39 | 454.59 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 11.43 | -27.04 | 1 | 6 | 0 | 40 | 455.598 | 8 | ↓ |