In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2006 | 24 | Yes |
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) | 2.27 | 1.21 | -24.23 | 3 | 7 | 0 | 109 | 330.292 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 2.22 | -67.89 | 2 | 7 | -1 | 112 | 329.284 | 3 | ↓ |