In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 23 | 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) | 2.64 | 5.68 | -44.9 | 1 | 3 | -1 | 60 | 317.449 | 0 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 5.02 | -18.33 | 2 | 3 | 0 | 58 | 318.457 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 5.69 | -8.99 | 1 | 3 | 0 | 54 | 318.457 | 1 | ↓ |