In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 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) | 0.12 | 0.5 | -43.85 | 4 | 4 | 1 | 63 | 240.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.12 | -0.71 | -8.42 | 3 | 4 | 0 | 58 | 239.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 1.13 | -33.33 | 4 | 4 | 1 | 60 | 240.352 | 3 | ↓ |