In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 35 | Yes |
None
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) | 3.39 | 10.19 | -44.08 | 4 | 7 | 1 | 91 | 493.031 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 9.72 | -14.57 | 3 | 7 | 0 | 90 | 492.023 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.39 | 10.9 | -54.68 | 4 | 7 | 1 | 95 | 493.031 | 6 | ↓ |