In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 32 | 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) | 3.42 | 9.97 | -47.99 | 2 | 6 | 1 | 57 | 436.507 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 10.99 | -121.1 | 3 | 6 | 2 | 62 | 437.515 | 5 | ↓ |