In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 31 | 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) | 2.04 | 6.25 | -54.66 | 0 | 7 | -1 | 86 | 485.358 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 8.58 | -68.07 | 1 | 7 | 0 | 87 | 486.366 | 7 | ↓ |