In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 27 | 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 | 6.44 | -10.76 | 2 | 6 | 0 | 78 | 428.286 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 7.21 | -50.38 | 1 | 6 | -1 | 81 | 427.278 | 5 | ↓ |