In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 21st, 2011 | 19 | 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) | 3.24 | 6.4 | -41.15 | 3 | 4 | 1 | 55 | 265.377 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.24 | 5.05 | -7.18 | 2 | 4 | 0 | 50 | 264.369 | 9 | ↓ |