In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: (5S)-9-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-9-methyl-N-(2-pyrrolidin-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) | 2.02 | 6.98 | -33.15 | 2 | 3 | 1 | 29 | 275.416 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 8.52 | -30.49 | 2 | 3 | 1 | 26 | 275.416 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 9.44 | -104.24 | 3 | 3 | 2 | 30 | 276.424 | 4 | ↓ |