In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | 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) | 1.23 | 4.3 | -48.44 | 1 | 7 | -1 | 113 | 300.312 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 4.46 | -97.01 | 0 | 7 | -2 | 115 | 299.304 | 8 | ↓ |