In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 20 | 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) | 1.68 | 5.61 | -57.72 | 4 | 4 | 1 | 69 | 271.34 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 4.2 | -15.58 | 3 | 4 | 0 | 64 | 270.332 | 7 | ↓ |