In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 29 | Yes |
None
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 | 7.09 | -15.19 | 2 | 6 | 0 | 78 | 395.434 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 7.85 | -53.57 | 1 | 6 | -1 | 81 | 394.426 | 7 | ↓ |