In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2005 | 27 | 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) | 4.45 | 8.88 | -11.88 | 1 | 5 | 0 | 66 | 384.501 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.45 | 8.91 | -46.56 | 0 | 5 | -1 | 69 | 383.493 | 6 | ↓ |