In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 30 | 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) | 0.97 | 9.26 | -109.72 | 3 | 7 | 0 | 102 | 421.444 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 7.25 | -62.91 | 4 | 7 | 1 | 99 | 422.452 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.78 | 7.56 | -90.77 | 4 | 7 | 1 | 105 | 422.452 | 4 | ↓ |