In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2007 | 36 | No |
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) | 5.25 | 14.08 | -54.11 | 0 | 7 | -1 | 106 | 493.417 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.67 | 3.91 | -23.13 | 0 | 7 | 0 | 100 | 494.425 | 7 | ↓ |