In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 11 | 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) | 1.93 | 3.04 | -31.71 | 2 | 2 | 1 | 26 | 158.265 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 2.11 | -1.73 | 1 | 2 | 0 | 21 | 157.257 | 0 | ↓ |