In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | 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) | 0.82 | 4.82 | -84.08 | 3 | 3 | 2 | 24 | 213.369 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 2.44 | -40.24 | 2 | 3 | 1 | 23 | 212.361 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 4.48 | -99.37 | 3 | 3 | 2 | 24 | 213.369 | 3 | ↓ |