In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 13 | 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) | 2.60 | 2.24 | -4.44 | 3 | 3 | 0 | 47 | 180.251 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 2.52 | -33.96 | 4 | 3 | 1 | 52 | 181.259 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 2.12 | -39.64 | 4 | 3 | 1 | 49 | 181.259 | 3 | ↓ |