In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 29 | No |
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) | 3.19 | 7.55 | -16.5 | 3 | 8 | 0 | 111 | 414.828 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.94 | -35.99 | 4 | 8 | 1 | 113 | 415.836 | 5 | ↓ |