In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 19 | Yes |
Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-1-(4-chlorophenyl)-1-cyclopropyl-methanamine (1S)-N-[(4-bromo-2-thienyl)methy…
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) | 5.26 | 10.6 | -45.15 | 2 | 1 | 1 | 17 | 357.724 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.26 | 9.55 | -2.71 | 1 | 1 | 0 | 12 | 356.716 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.