In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 25 | 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) | 4.05 | 10.16 | -15.38 | 1 | 3 | 0 | 42 | 326.399 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.05 | 10.53 | -39.06 | 2 | 3 | 1 | 43 | 327.407 | 4 | ↓ |