In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 32 | No |
None
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) | 4.06 | 7.64 | -65.5 | 4 | 7 | 1 | 92 | 492.305 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 6.77 | -45.68 | 3 | 7 | 0 | 98 | 491.297 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 6.76 | -46.43 | 3 | 7 | 0 | 98 | 491.297 | 9 | ↓ |