In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 34 | 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) | 5.27 | 15.29 | -38.91 | 2 | 4 | 1 | 51 | 456.606 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.27 | 13.4 | -7.73 | 1 | 4 | 0 | 50 | 455.598 | 7 | ↓ |