In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 27 | 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) | 2.96 | 11.29 | -38.34 | 1 | 5 | 1 | 37 | 374.459 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 9.08 | -8.03 | 0 | 5 | 0 | 35 | 373.451 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 11.62 | -93.33 | 2 | 5 | 2 | 38 | 375.467 | 4 | ↓ |