In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 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) | 2.15 | 7.16 | -16.62 | 3 | 9 | 0 | 120 | 410.409 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 7.54 | -37.95 | 4 | 9 | 1 | 122 | 411.417 | 6 | ↓ |