In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | 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) | 3.95 | 4.82 | -7.77 | 2 | 2 | 0 | 32 | 251.688 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 5.61 | -34.55 | 1 | 2 | -1 | 35 | 250.68 | 3 | ↓ |