In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | -1.63 | 1.66 | -78.81 | 3 | 5 | 0 | 88 | 186.211 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.63 | 1.27 | -54.65 | 2 | 5 | -1 | 86 | 185.203 | 3 | ↓ |