In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 19 | 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) | 3.05 | 4.43 | -15.08 | 2 | 4 | 0 | 59 | 257.289 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 5.45 | -57.84 | 1 | 4 | -1 | 61 | 256.281 | 4 | ↓ |