In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 23 | Yes |
Popular Name: 2-phenyl-4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]triazole 2-phenyl-4-[[(2S)-2-(1,2,4-triaz…
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) | 0.71 | 10.08 | -46.88 | 1 | 7 | 1 | 66 | 310.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 7.76 | -12.81 | 0 | 7 | 0 | 65 | 309.377 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.