In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 24 | 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) | 5.12 | 13.01 | -110.92 | 2 | 2 | 2 | 9 | 328.544 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.12 | 10.95 | -31.78 | 1 | 2 | 1 | 8 | 327.536 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.12 | 11.09 | -1.7 | 0 | 2 | 0 | 6 | 326.528 | 3 | ↓ |