In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2010 | 13 | 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) | 1.95 | 3.87 | -47.23 | 4 | 2 | 1 | 43 | 173.239 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 3.46 | -4.8 | 3 | 2 | 0 | 42 | 172.231 | 2 | ↓ |