In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2011 | 15 | 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) | 1.11 | 3.72 | -36.91 | 2 | 4 | 1 | 43 | 215.317 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 1.57 | -7.9 | 1 | 4 | 0 | 42 | 214.309 | 6 | ↓ |