In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 20 | No |
Popular Name: (4S)-1-(3-methyl-4-nitro-phenyl)-4,5,6,7-tetrahydroindol-4-amine (4S)-1-(3-methyl-4-nitro-phenyl)…
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) | 0.98 | 8.32 | -47.76 | 3 | 5 | 1 | 78 | 272.328 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 8.01 | -6.29 | 2 | 5 | 0 | 77 | 271.32 | 2 | ↓ |