In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2009 | 28 | 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) | 2.49 | 6.39 | -76.16 | 1 | 8 | -1 | 103 | 421.264 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 7.18 | -33.34 | 2 | 8 | 0 | 100 | 422.272 | 4 | ↓ |