In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 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) | 3.78 | 9.12 | -14.22 | 0 | 5 | 0 | 60 | 375.24 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 9.41 | -54.88 | 1 | 5 | 1 | 61 | 376.248 | 2 | ↓ |