In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | 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) | 1.45 | 3.82 | -80.93 | 3 | 5 | 0 | 86 | 242.662 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 2.39 | -62.09 | 2 | 5 | -1 | 81 | 241.654 | 4 | ↓ |