In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 33 | 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) | 5.43 | 10.24 | -11.62 | 1 | 6 | 0 | 80 | 510.315 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.43 | 11.16 | -47.69 | 0 | 6 | -1 | 83 | 509.307 | 3 | ↓ |