In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 32 | No |
None
None
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) | 2.76 | 4.03 | -47.74 | 3 | 7 | 1 | 88 | 447.458 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 2.54 | -44.7 | 1 | 7 | -1 | 89 | 445.442 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 1.77 | -11.64 | 2 | 7 | 0 | 86 | 446.45 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 4.79 | -30.92 | 2 | 7 | 0 | 90 | 446.45 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 4.04 | -41.96 | 3 | 7 | 1 | 88 | 447.458 | 7 | ↓ |