In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 28 | No |
Popular Name: N'-(4-hydroxy-3-pyridyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]oxamide N'-(4-hydroxy-3-pyridyl)-N-[(2S)…
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) | -0.09 | 5.06 | -56.38 | 4 | 8 | 1 | 99 | 384.46 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.09 | 2.68 | -24.73 | 3 | 8 | 0 | 98 | 383.452 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.