| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 16 | No |
Popular Name: (3aS,7aS)-1,3-dihydroxy-2-[(2S)-2H-pyrrol-2-yl]-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole (3aS,7aS)-1,3-dihydroxy-2-[(2S)-…
| 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) | 1.20 | -1.44 | -33.42 | 3 | 5 | 1 | 61 | 224.284 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | -2.34 | -6.6 | 2 | 5 | 0 | 59 | 223.276 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
