In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2006 | 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) | 1.00 | 3.09 | -15.83 | 2 | 6 | 0 | 88 | 291.332 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.00 | 3.15 | -46.89 | 1 | 6 | -1 | 90 | 290.324 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 3.24 | -40.95 | 3 | 6 | 1 | 89 | 292.34 | 4 | ↓ |