In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine (1S)-1-(2-chlorophenyl)-N,N-diet…
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) | 2.92 | 9.28 | -89.63 | 4 | 4 | 2 | 42 | 310.873 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 8.03 | -26.47 | 3 | 4 | 1 | 41 | 309.865 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.