In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 14 | 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) | 1.55 | 4.2 | -44.52 | 2 | 3 | 1 | 35 | 194.254 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 2.87 | -7.53 | 1 | 3 | 0 | 30 | 193.246 | 2 | ↓ |