In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 27 | Yes |
Popular Name: 2-[(4S,5S)-5-phenyl-3-(2-pyrrolidin-1-ylethyl)-4,5-dihydroimidazol-4-yl]-2H-benzimidazole 2-[(4S,5S)-5-phenyl-3-(2-pyrroli…
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) | 3.51 | 11.21 | -309.15 | 4 | 5 | 4 | 50 | 363.509 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 8.75 | -182.52 | 3 | 5 | 3 | 48 | 362.501 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 7.72 | -93.63 | 2 | 5 | 2 | 47 | 361.493 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 10.2 | -185.85 | 3 | 5 | 3 | 48 | 362.501 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.