In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 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) | 1.15 | 7.91 | -50.08 | 2 | 8 | 1 | 80 | 374.513 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 5.6 | -17.11 | 1 | 8 | 0 | 79 | 373.505 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 7.91 | -55.85 | 2 | 8 | 1 | 80 | 374.513 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.