In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 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) | 2.27 | 8.78 | -52.88 | 3 | 1 | 1 | 28 | 262.323 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 8.44 | -3.95 | 2 | 1 | 0 | 26 | 261.315 | 5 | ↓ |