In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 19 | 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) | 1.45 | 6.1 | -10.65 | 1 | 4 | 0 | 41 | 293.417 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 5.68 | -36.29 | 0 | 4 | -1 | 44 | 292.409 | 2 | ↓ |