In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2006 | 32 | No |
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) | 2.65 | 7.56 | -62.77 | 0 | 7 | -1 | 92 | 429.452 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 0.15 | -20.02 | 1 | 7 | 0 | 88 | 430.46 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 0.28 | -47.93 | 2 | 7 | 1 | 90 | 431.468 | 6 | ↓ |