In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2011 | 23 | Yes |
Popular Name: 2-[[(1S,9aS)-6-phenyl-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]amino]ethanol 2-[[(1S,9aS)-6-phenyl-2,3,4,9a-t…
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) | 3.66 | 6.25 | -101.85 | 4 | 3 | 2 | 51 | 308.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 4.99 | -29 | 3 | 3 | 1 | 46 | 307.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.