In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 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) | 2.58 | 5.25 | -61.69 | 1 | 7 | -1 | 99 | 408.43 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.03 | -1.01 | -22.6 | 2 | 7 | 0 | 96 | 409.438 | 8 | ↓ |