In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 27 | 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) | 2.03 | 7.44 | -14.45 | 1 | 5 | 0 | 62 | 387.842 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 8.12 | -33.33 | 2 | 5 | 1 | 63 | 388.85 | 3 | ↓ |