In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 28 | 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) | 2.17 | 6.62 | -60.8 | 0 | 7 | -1 | 92 | 384.408 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 5.8 | -15.04 | 1 | 7 | 0 | 89 | 385.416 | 8 | ↓ |