In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 4-cyclopentylsulfanyl-N-[(1S)-1-(2-pyridyl)ethyl]aniline 4-cyclopentylsulfanyl-N-[(1S)-1-…
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) | 4.42 | 9.95 | -5.15 | 1 | 2 | 0 | 25 | 298.455 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 10.12 | -34.99 | 2 | 2 | 1 | 26 | 299.463 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.