In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | 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) | 3.54 | 7.59 | -43.5 | 2 | 3 | 1 | 29 | 256.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 8.01 | -79.4 | 3 | 3 | 2 | 31 | 257.381 | 3 | ↓ |