In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2010 | 14 | 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) | 2.60 | 4.91 | -4.53 | 3 | 3 | 0 | 51 | 193.294 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 5.25 | -25.84 | 4 | 3 | 1 | 52 | 194.302 | 5 | ↓ |