In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 30 | 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) | 1.95 | 5.95 | -18.22 | 1 | 8 | 0 | 80 | 409.442 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 8.17 | -62.72 | 2 | 8 | 1 | 82 | 410.45 | 3 | ↓ |