In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 30 | 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) | 2.47 | 9.44 | -21.69 | 1 | 8 | 0 | 116 | 439.522 | 6 | ↓ |
Ref Reference (pH 7) | 2.47 | 9.47 | -22.05 | 1 | 8 | 0 | 116 | 439.522 | 6 | ↓ |
Ref Reference (pH 7) | 2.47 | 9.44 | -21.7 | 1 | 8 | 0 | 116 | 439.522 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.87 | -51.86 | 0 | 8 | -1 | 122 | 438.514 | 6 | ↓ |