In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 17 | 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) | 3.91 | 5.79 | -9.3 | 1 | 3 | 0 | 46 | 255.383 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 5.96 | -43.17 | 0 | 3 | -1 | 48 | 254.375 | 7 | ↓ |