In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 30 | 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) | 6.68 | 15.69 | -13.46 | 0 | 3 | 0 | 27 | 392.502 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.68 | 16.21 | -34.4 | 1 | 3 | 1 | 28 | 393.51 | 7 | ↓ |