In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 13 | 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) | 0.65 | 4.26 | -54.4 | 3 | 1 | 1 | 28 | 190.188 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 3.91 | -4.55 | 2 | 1 | 0 | 26 | 189.18 | 2 | ↓ |