In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 18 | 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) | 4.37 | 7.22 | -36.08 | 2 | 2 | 1 | 20 | 253.454 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 9.45 | -104.83 | 3 | 2 | 2 | 21 | 254.462 | 5 | ↓ |