In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 28 | No |
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) | 3.78 | 9.5 | -70.2 | 1 | 5 | 1 | 59 | 403.568 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 7.21 | -16.72 | 0 | 5 | 0 | 58 | 402.56 | 5 | ↓ |