In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 32 | Yes |
Popular Name: 1-[(1R,2R)-2-(benzotriazol-1-yl)-1,2-dimorpholino-ethyl]benzotriazole 1-[(1R,2R)-2-(benzotriazol-1-yl)…
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) | 2.10 | 3.29 | -11.05 | 0 | 10 | 0 | 86 | 434.504 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 5.86 | -42.07 | 1 | 10 | 1 | 88 | 435.512 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.