In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
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) | 3.58 | 8.78 | -125.71 | 4 | 2 | 2 | 32 | 292.442 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 8.46 | -36.8 | 3 | 2 | 1 | 30 | 291.434 | 3 | ↓ |