In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 20 | 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) | 5.29 | 10.17 | -107.11 | 4 | 2 | 2 | 32 | 284.532 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.29 | 8.06 | -42.23 | 3 | 2 | 1 | 31 | 283.524 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.29 | 9.65 | -33.12 | 3 | 2 | 1 | 30 | 283.524 | 11 | ↓ |