In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2007 | 30 | 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) | 2.83 | 5.77 | -40.72 | 2 | 8 | 0 | 106 | 429.498 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | -4.29 | -47.65 | 1 | 8 | -1 | 108 | 428.49 | 5 | ↓ |