In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2009 | 31 | No |
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) | 1.15 | 9.82 | -45.77 | 2 | 8 | 0 | 120 | 430.501 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 8.42 | -59.11 | 1 | 8 | -1 | 116 | 429.493 | 7 | ↓ |