In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 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) | -1.98 | 8.21 | -24.43 | 3 | 3 | 1 | 41 | 204.297 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 7.74 | -6.08 | 2 | 3 | 0 | 42 | 203.289 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.