In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 15 | 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) | 0.41 | 4.79 | -10.04 | 4 | 5 | 0 | 94 | 199.217 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.41 | 5.21 | -40.4 | 5 | 5 | 1 | 95 | 200.225 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.