| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 33 | No |
Popular Name: (2S)-2-[[(9aR)-1-(3,4,5-trimethoxyphenyl)-9aH-pyrido[3,4-b]indole-3-carbonyl]amino]propanoic (2S)-2-[[(9aR)-1-(3,4,5-trimetho…
| 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) | 0.72 | 7.18 | -63.35 | 2 | 9 | 0 | 123 | 449.463 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 7.58 | -100.11 | 3 | 9 | 1 | 125 | 450.471 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
