In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 27 | 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) | 3.77 | 10.52 | -36.43 | 2 | 5 | 1 | 51 | 382.919 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 10.01 | -8.36 | 1 | 5 | 0 | 50 | 381.911 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 12.73 | -114 | 3 | 5 | 2 | 52 | 383.927 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 12.22 | -48.23 | 2 | 5 | 1 | 51 | 382.919 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.