In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 28 | 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) | 4.80 | 12.05 | -115.57 | 3 | 4 | 2 | 38 | 403.567 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.80 | 9.71 | -54.16 | 2 | 4 | 1 | 37 | 402.559 | 5 | ↓ |