In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2008 | 25 | 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) | 6.83 | 13.88 | -11.19 | 0 | 1 | 0 | 13 | 319.407 | 1 | ↓ |
Lo Low (pH 4.5-6) | 6.83 | 14.07 | -24.21 | 1 | 1 | 1 | 14 | 320.415 | 1 | ↓ |