In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: (1R,5R,6S)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[2-methyl-2-(4-meth…
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) | 2.34 | 7.3 | -92.46 | 3 | 3 | 2 | 24 | 265.445 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 4.95 | -36.34 | 2 | 3 | 1 | 23 | 264.437 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.