In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 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) | 3.00 | 7.3 | -47.99 | 3 | 8 | 1 | 84 | 453.563 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 7.34 | -50.38 | 3 | 8 | 1 | 84 | 453.563 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 5.16 | -16.64 | 2 | 8 | 0 | 83 | 452.555 | 8 | ↓ |