In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 16 | 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) | 0.42 | 3.43 | -91.76 | 5 | 4 | 2 | 61 | 229.368 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 3.13 | -39.77 | 4 | 4 | 1 | 60 | 228.36 | 7 | ↓ |