In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 33 | 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) | 3.82 | 11.42 | -34.95 | 2 | 11 | 0 | 152 | 468.857 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 12.26 | -18.07 | 2 | 11 | 0 | 152 | 468.857 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.27 | 11.09 | -53.86 | 1 | 11 | -1 | 155 | 467.849 | 6 | ↓ |