In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 5.93 | 12.21 | -10.65 | 0 | 5 | 0 | 52 | 455.554 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.93 | 15.09 | -53.16 | 1 | 5 | 1 | 53 | 456.562 | 7 | ↓ |