In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
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) | 1.62 | 6.79 | -77.9 | 4 | 4 | 2 | 48 | 286.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 8.31 | -116.38 | 4 | 4 | 2 | 48 | 286.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 6.51 | -48.86 | 3 | 4 | 1 | 47 | 285.415 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 8.59 | -175.85 | 5 | 4 | 3 | 49 | 287.431 | 4 | ↓ |