In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 34 | 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) | 6.69 | 15 | -40.65 | 2 | 6 | 1 | 64 | 458.561 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.69 | 12.48 | -10.68 | 1 | 6 | 0 | 63 | 457.553 | 7 | ↓ |