In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 19th, 2006 | 27 | 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) | 4.93 | 9.55 | -41.37 | 2 | 4 | 1 | 43 | 376.561 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.93 | 7.4 | -6.82 | 1 | 4 | 0 | 42 | 375.553 | 7 | ↓ |