In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 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) | 0.42 | 1.7 | -49.49 | 4 | 4 | 1 | 64 | 222.312 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 1.31 | -5.81 | 3 | 4 | 0 | 62 | 221.304 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 1.63 | -28.31 | 4 | 4 | 1 | 64 | 222.312 | 3 | ↓ |