In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 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) | 3.81 | 10.16 | -33.14 | 2 | 3 | 1 | 28 | 339.503 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 7.74 | -3.21 | 1 | 3 | 0 | 27 | 338.495 | 6 | ↓ |