In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2010 | 27 | 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) | -3.05 | 2.26 | -107.98 | 8 | 10 | 1 | 176 | 376.393 | 9 | ↓ |
Hi High (pH 8-9.5) | -3.05 | 1.35 | -64.39 | 6 | 10 | -1 | 173 | 374.377 | 9 | ↓ |
Mid Mid (pH 6-8) | -3.05 | 1.68 | -79.52 | 7 | 10 | 0 | 175 | 375.385 | 9 | ↓ |