In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 27th, 2005 | 27 | 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) | 4.47 | 12.82 | -61.46 | 2 | 5 | 1 | 58 | 362.501 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.47 | 13.27 | -88 | 3 | 5 | 2 | 59 | 363.509 | 7 | ↓ |