In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 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) | 2.94 | 8.75 | -51.43 | 0 | 8 | -1 | 91 | 491.564 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 11.02 | -62.3 | 1 | 8 | 0 | 93 | 492.572 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 10.26 | -44.4 | 2 | 8 | 1 | 90 | 493.58 | 10 | ↓ |