In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 18 | Yes |
Popular Name: (1R)-N-[(5-bromo-2-thienyl)methyl]-1-cyclopropyl-1-phenyl-methanamine (1R)-N-[(5-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) | 4.78 | 10.2 | -42.02 | 2 | 1 | 1 | 17 | 323.279 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.78 | 9.17 | -2.68 | 1 | 1 | 0 | 12 | 322.271 | 5 | ↓ |