In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 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) | 2.41 | 3.2 | -20.58 | 3 | 5 | 0 | 78 | 304.733 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 3.86 | -50.06 | 2 | 5 | -1 | 81 | 303.725 | 3 | ↓ |