In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 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) | 3.16 | 6.59 | -54.07 | 2 | 4 | -1 | 81 | 331.432 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 4.5 | -8.54 | 3 | 4 | 0 | 78 | 332.44 | 2 | ↓ |