In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 20 | Yes |
Popular Name: (4R)-6-chloro-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-(3-methy…
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) | 4.18 | 9.15 | -3.26 | 1 | 1 | 0 | 12 | 323.914 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 9.67 | -39.02 | 2 | 1 | 1 | 17 | 324.922 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.