In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 24 | 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) | 7.32 | 0.42 | -5.4 | 0 | 1 | 0 | 12 | 394.699 | 2 | ↓ |
Lo Low (pH 4.5-6) | 7.32 | 0.54 | -30.58 | 1 | 1 | 1 | 14 | 395.707 | 2 | ↓ |