In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 37 | 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) | 4.43 | 14.45 | -57.11 | 3 | 7 | 1 | 80 | 494.619 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 12.63 | -25.84 | 2 | 7 | 0 | 79 | 493.611 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.62 | 12.26 | -46.48 | 2 | 7 | 0 | 87 | 493.611 | 8 | ↓ |