In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 32 | 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) | 4.78 | 10.89 | -34.33 | 2 | 6 | 0 | 84 | 445.544 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 9.52 | -62.69 | 1 | 6 | -1 | 87 | 444.536 | 5 | ↓ |