In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 31 | 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) | 2.81 | 6.95 | -24.19 | 2 | 8 | 0 | 102 | 440.525 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 7.02 | -59.15 | 1 | 8 | -1 | 104 | 439.517 | 5 | ↓ |