In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 34 | 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) | 3.99 | 10.26 | -19.97 | 3 | 6 | 0 | 77 | 492.67 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 12.7 | -53.34 | 4 | 6 | 1 | 78 | 493.678 | 9 | ↓ |