In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 32 | 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) | 2.11 | 10.64 | -16.13 | 0 | 6 | 0 | 49 | 430.552 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 12.86 | -62.4 | 1 | 6 | 1 | 50 | 431.56 | 3 | ↓ |