In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 32 | 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) | 6.75 | 8.3 | -16.1 | 3 | 6 | 0 | 95 | 492.066 | 5 | ↓ |
Hi High (pH 8-9.5) | 7.21 | 6.93 | -47.96 | 2 | 6 | -1 | 98 | 491.058 | 5 | ↓ |