In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 34 | 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) | 5.71 | 14.01 | -62.27 | 0 | 5 | -1 | 73 | 475.496 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.16 | 12.02 | -30.48 | 1 | 5 | 0 | 71 | 476.504 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.13 | 13.01 | -18.38 | 0 | 5 | 0 | 67 | 476.504 | 4 | ↓ |