In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 20 | 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) | 3.97 | 9.27 | -50.31 | 1 | 4 | -1 | 69 | 388.225 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.97 | 7.3 | -12.53 | 2 | 4 | 0 | 66 | 389.233 | 9 | ↓ |