In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2010 | 16 | 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) | 1.58 | 3.75 | -50.59 | 1 | 5 | -1 | 86 | 240.26 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 3.81 | -121.64 | 0 | 5 | -2 | 88 | 239.252 | 4 | ↓ |