In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 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) | 1.86 | 6.22 | -19.18 | 1 | 9 | 0 | 93 | 465.506 | 6 | ↓ |
Ref Reference (pH 7) | 1.86 | 6.46 | -21.53 | 1 | 9 | 0 | 93 | 465.506 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 8.64 | -66.23 | 2 | 9 | 1 | 95 | 466.514 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 8.65 | -68.43 | 2 | 9 | 1 | 95 | 466.514 | 6 | ↓ |