In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 13 | 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) | -0.20 | 3.05 | -41.97 | 2 | 3 | 1 | 39 | 181.259 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.20 | 1.95 | -4.72 | 1 | 3 | 0 | 34 | 180.251 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.20 | 3.54 | -99.95 | 3 | 3 | 2 | 40 | 182.267 | 5 | ↓ |