In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | 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) | 2.95 | 6.31 | -47.53 | 3 | 2 | 1 | 37 | 246.305 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 5.99 | -4.1 | 2 | 2 | 0 | 35 | 245.297 | 4 | ↓ |