In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2007 | 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) | 2.68 | 5.27 | -61.56 | 1 | 7 | -1 | 99 | 410.446 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 5.91 | -16.64 | 2 | 7 | 0 | 96 | 411.454 | 7 | ↓ |