In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | 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) | 3.66 | 7.53 | -88.04 | 4 | 4 | 2 | 50 | 297.487 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 5.8 | -34.35 | 3 | 4 | 1 | 56 | 296.479 | 6 | ↓ |