In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2006 | 32 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.88 | -1.14 | -61.64 | 2 | 8 | -1 | 127 | 436.44 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.88 | -1.17 | -71.63 | 2 | 8 | -1 | 127 | 436.44 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.29 | -1.36 | -71.86 | 1 | 8 | -1 | 124 | 436.44 | 9 | ↓ |