In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (5S)-N-[(4-chlorophenyl)methyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-[(4-chlorophenyl)methyl]-…
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) | 3.67 | 10.49 | -38.63 | 2 | 2 | 1 | 26 | 302.825 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 9.56 | -3.17 | 1 | 2 | 0 | 21 | 301.817 | 3 | ↓ |