In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 27 | 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) | 2.79 | 5.66 | -63.83 | 1 | 6 | -1 | 94 | 368.409 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 4.93 | -15.29 | 2 | 6 | 0 | 91 | 369.417 | 7 | ↓ |