In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 29 | 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) | 3.77 | 5.41 | -19.26 | 1 | 7 | 0 | 101 | 436.555 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 5.51 | -53.53 | 0 | 7 | -1 | 103 | 435.547 | 5 | ↓ |