In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 21 | No |
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) | 2.40 | 7.26 | -14.53 | 0 | 3 | 0 | 39 | 315.829 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 9.68 | -66.11 | 1 | 3 | 1 | 41 | 316.837 | 1 | ↓ |