In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 36 | 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) | 4.09 | 13.18 | -21.83 | 1 | 7 | 0 | 83 | 525.074 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 12.1 | -49.36 | 0 | 7 | -1 | 89 | 524.066 | 8 | ↓ |