In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 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) | 1.70 | 5.63 | -29.97 | 2 | 3 | 0 | 57 | 199.275 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 4.58 | -47.95 | 1 | 3 | -1 | 52 | 198.267 | 5 | ↓ |