In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 14 | No |
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) | 0.76 | 6.95 | -32.76 | 1 | 3 | 1 | 25 | 197.302 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 5.08 | -3.99 | 0 | 3 | 0 | 24 | 196.294 | 2 | ↓ |