In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2005 | 22 | 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) | 6.72 | -0.67 | -6.43 | 1 | 2 | 0 | 24 | 396.231 | 2 | ↓ |
Lo Low (pH 4.5-6) | 6.72 | -0.59 | -24.56 | 2 | 2 | 1 | 26 | 397.239 | 2 | ↓ |