In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 18 | 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) | 0.29 | 0.02 | -52.06 | 2 | 7 | -1 | 115 | 266.258 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.29 | 0.09 | -97.76 | 1 | 7 | -2 | 117 | 265.25 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.29 | 0.53 | -83.55 | 2 | 7 | -1 | 118 | 266.258 | 4 | ↓ |