| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: (1S)-N,N-dimethyl-1-phenyl-N'-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1S)-N,N-dimethyl-1-phenyl-N'-[(…
| 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) | 2.80 | 9.64 | -38.68 | 2 | 2 | 1 | 16 | 301.479 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.32 | -3.02 | 1 | 2 | 0 | 15 | 300.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 8.42 | -39.15 | 2 | 2 | 1 | 20 | 301.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 10.78 | -121.4 | 3 | 2 | 2 | 21 | 302.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
