In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 33 | 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) | 3.30 | 9.75 | -22.49 | 3 | 8 | 0 | 116 | 496.643 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 8.68 | -51.05 | 2 | 8 | -1 | 122 | 495.635 | 9 | ↓ |