In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
None
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) | 4.84 | 10.76 | -10.31 | 0 | 5 | 0 | 48 | 414.505 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 13.75 | -50.26 | 1 | 5 | 1 | 49 | 415.513 | 2 | ↓ |