In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 23 | Yes |
Popular Name: (3S,7aR)-N-cyclopentyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole-2-sulfonamide (3S,7aR)-N-cyclopentyl-3-phenyl-…
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) | 2.73 | 5.97 | -43.19 | 2 | 5 | 1 | 54 | 336.481 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 5.83 | -41.57 | 1 | 5 | 0 | 56 | 335.473 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 3.48 | -9.59 | 1 | 5 | 0 | 53 | 335.473 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.