In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 24 | 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) | 7.91 | 17.38 | -48.66 | 0 | 2 | -1 | 40 | 327.488 | 11 | ↓ |
Lo Low (pH 4.5-6) | 7.91 | 15.4 | -10.22 | 1 | 2 | 0 | 37 | 328.496 | 11 | ↓ |