In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 20 | 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) | 0.91 | 10.99 | -33.45 | 1 | 3 | 0 | 45 | 267.328 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 8.54 | -52.25 | 0 | 3 | -1 | 43 | 266.32 | 4 | ↓ |