In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 22 | 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 | 9.27 | -43.19 | 3 | 4 | 1 | 57 | 305.442 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 7.02 | -5.98 | 2 | 4 | 0 | 56 | 304.434 | 8 | ↓ |