In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | -0.53 | 2.16 | -100.52 | 6 | 10 | 2 | 133 | 490.686 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.53 | 1.55 | -16.29 | 4 | 10 | 0 | 130 | 488.67 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.53 | 1.89 | -53.1 | 5 | 10 | 1 | 131 | 489.678 | 6 | ↓ |