In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 20 | Yes |
Popular Name: (4R)-6-chloro-N-[(5-methylpyrazin-2-yl)methyl]thiochroman-4-amine (4R)-6-chloro-N-[(5-methylpyrazi…
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) | 2.10 | 7.06 | -46.93 | 2 | 3 | 1 | 42 | 306.842 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 5.87 | -7.45 | 1 | 3 | 0 | 38 | 305.834 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.