In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 17 | 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) | -0.93 | 1.3 | -21.04 | 2 | 6 | 0 | 79 | 237.19 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.74 | -1.32 | -56.43 | 1 | 6 | -1 | 85 | 236.182 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.