In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 16 | 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) | 1.55 | 4.19 | -44.13 | 3 | 2 | 1 | 31 | 223.315 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 6.44 | -112.88 | 4 | 2 | 2 | 32 | 224.323 | 3 | ↓ |