In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 34 | Yes |
None
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) | 3.00 | 6.41 | -16.53 | 2 | 9 | 0 | 106 | 467.522 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 7.18 | -56.17 | 1 | 9 | -1 | 109 | 466.514 | 10 | ↓ |