In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 16 | Yes |
Popular Name: (1R,5R,6S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[(1S)-1-(5-chloro-2…
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) | 4.27 | 8.44 | -38.54 | 2 | 1 | 1 | 17 | 254.806 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 7.15 | -1.92 | 1 | 1 | 0 | 12 | 253.798 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.