In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2009 | 32 | 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) | 4.19 | 11.96 | -63.44 | 1 | 8 | -1 | 116 | 431.472 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.65 | 10.78 | -118.93 | 0 | 8 | -2 | 119 | 430.464 | 4 | ↓ |