In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 25 | 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) | 2.63 | 6.8 | -50.11 | 3 | 5 | 1 | 66 | 347.479 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 5.56 | -9.14 | 2 | 5 | 0 | 62 | 346.471 | 7 | ↓ |