In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 29 | 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) | 4.74 | 7.83 | -13.86 | 2 | 6 | 0 | 78 | 391.471 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.74 | 8.6 | -53.27 | 1 | 6 | -1 | 81 | 390.463 | 7 | ↓ |