In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 17 | 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) | 2.29 | 6.28 | -33.35 | 1 | 3 | 1 | 17 | 235.351 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.29 | 4 | -4.16 | 0 | 3 | 0 | 16 | 234.343 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 6.27 | -34.37 | 1 | 3 | 1 | 17 | 235.351 | 5 | ↓ |