In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2007 | 30 | 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) | 5.26 | 7.79 | -53.49 | 0 | 6 | -1 | 84 | 423.514 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 8.64 | -21.49 | 1 | 6 | 0 | 81 | 424.522 | 8 | ↓ |