In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 20 | No |
Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-nitro-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-ethyl]-…
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) | -0.71 | 3.06 | -53.37 | 4 | 7 | 0 | 117 | 274.28 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.71 | 2.7 | -31.59 | 3 | 7 | -1 | 115 | 273.272 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.71 | 3.55 | -70.65 | 5 | 7 | 1 | 118 | 275.288 | 5 | ↓ |