In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 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) | 2.36 | -1.13 | -48.02 | 2 | 7 | 1 | 74 | 436.532 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.77 | -1.28 | -56.8 | 1 | 7 | 1 | 71 | 436.532 | 7 | ↓ |