In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 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) | 3.89 | 7.22 | -42.15 | 2 | 3 | 1 | 29 | 354.312 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.89 | 9.46 | -117.18 | 3 | 3 | 2 | 30 | 355.32 | 4 | ↓ |