In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 11 | 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) | 1.88 | 2.1 | -43.88 | 3 | 2 | 1 | 37 | 172.635 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.86 | -60.48 | 2 | 2 | 0 | 40 | 171.627 | 2 | ↓ |