| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | No |
Popular Name: (1R)-2,2-dimethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine (1R)-2,2-dimethyl-1-phenyl-3-(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) | 1.27 | 7.51 | -47.18 | 3 | 2 | 1 | 31 | 279.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 8.05 | -34.03 | 3 | 2 | 1 | 30 | 279.473 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 8.36 | -120.59 | 4 | 2 | 2 | 32 | 280.481 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
