In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 15 | 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) | 2.02 | 4.31 | -37.53 | 2 | 3 | 1 | 35 | 210.297 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 3.05 | -3.64 | 1 | 3 | 0 | 30 | 209.289 | 7 | ↓ |