In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 32 | 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) | 2.19 | 9.8 | -29.22 | 2 | 11 | 0 | 148 | 493.596 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 8.59 | -52.06 | 1 | 11 | -1 | 154 | 492.588 | 10 | ↓ |