In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 15 | No |
Popular Name: (2R)-3-cyclopentylsulfanyl-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-cyclopentylsulfanyl-2-cyc…
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 | 5.95 | -6.24 | 1 | 2 | 0 | 36 | 224.373 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 7.21 | -41.28 | 2 | 2 | 1 | 40 | 225.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.