In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 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) | 6.12 | 8.36 | -19.9 | 3 | 7 | 0 | 112 | 493.61 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.58 | 7.11 | -48.23 | 2 | 7 | -1 | 115 | 492.602 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.58 | 7.88 | -94.91 | 1 | 7 | -2 | 118 | 491.594 | 7 | ↓ |