| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 30 | No |
Popular Name: (2S)-2-[[(9aR)-1-phenyl-9aH-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanyl-butanoic (2S)-2-[[(9aR)-1-phenyl-9aH-pyri…
| 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) | 1.54 | 10.37 | -65.89 | 2 | 6 | 0 | 96 | 419.506 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 10.7 | -101.6 | 3 | 6 | 1 | 97 | 420.514 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
