In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 30 | 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) | 3.06 | 7.66 | -8.16 | 2 | 6 | 0 | 110 | 395.466 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 7.5 | -44.99 | 3 | 6 | 1 | 111 | 396.474 | 2 | ↓ |