In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 21 | Yes |
Popular Name: (1R)-N,2,2-trimethyl-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-1-phenyl-propan-1-amine (1R)-N,2,2-trimethyl-3-[(2S)-2-m…
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) | 3.35 | 7.4 | -39.83 | 2 | 3 | 1 | 29 | 291.459 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.35 | 7.64 | -34.72 | 2 | 3 | 1 | 26 | 291.459 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 8.53 | -103.98 | 3 | 3 | 2 | 30 | 292.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.