In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 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) | 2.10 | 1.67 | -18.25 | 4 | 8 | 0 | 119 | 409.442 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 2.44 | -59.19 | 3 | 8 | -1 | 122 | 408.434 | 7 | ↓ |