In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 31 | No |
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 |
---|---|---|---|---|---|---|---|---|---|---|
Mid Mid (pH 6-8) | -4.33 | 3.32 | -392.52 | 1 | 18 | -4 | 278 | 502.118 | 12 | ↓ |
Lo Low (pH 4.5-6) | -4.33 | 2.16 | -250.65 | 2 | 18 | -3 | 275 | 503.126 | 12 | ↓ |