In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 34 | 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) | 1.05 | 6.5 | -57.53 | 2 | 11 | 1 | 156 | 503.538 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 6.55 | -23.94 | 1 | 11 | 0 | 154 | 502.53 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.05 | 6.49 | -121.82 | 3 | 11 | 2 | 157 | 504.546 | 8 | ↓ |