In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 28 | Yes |
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) | 1.26 | 5.3 | -50.27 | 2 | 7 | 1 | 60 | 386.52 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 5.17 | -54.18 | 2 | 7 | 1 | 60 | 386.52 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 2.83 | -16.38 | 1 | 7 | 0 | 59 | 385.512 | 4 | ↓ |