In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 33 | Yes |
None
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) | 4.76 | 14.38 | -49.35 | 1 | 6 | 1 | 60 | 453.582 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.76 | 11.87 | -10.14 | 0 | 6 | 0 | 58 | 452.574 | 10 | ↓ |