In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 35 | 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) | 2.30 | 10.39 | -36.29 | 2 | 13 | 0 | 170 | 480.437 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 10.06 | -58.05 | 1 | 13 | -1 | 173 | 479.429 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 11.22 | -19.51 | 2 | 13 | 0 | 170 | 480.437 | 8 | ↓ |