In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 21 | Yes |
None
None
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) | 2.57 | 9.71 | -88.64 | 2 | 3 | 2 | 12 | 289.467 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 5.15 | -2.16 | 0 | 3 | 0 | 10 | 287.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 7.33 | -33.87 | 1 | 3 | 1 | 11 | 288.459 | 5 | ↓ |