In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 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) | 3.66 | -8.81 | -23.44 | 1 | 8 | 0 | 102 | 492.6 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | -8.24 | -62.48 | 0 | 8 | -1 | 104 | 491.592 | 5 | ↓ |