In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 35 | 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) | 3.23 | 12.19 | -27.13 | 0 | 8 | 0 | 77 | 468.513 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 12.71 | -54.35 | 1 | 8 | 1 | 78 | 469.521 | 5 | ↓ |