In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 29 | No |
Popular Name: N-tert-butyl-N'-[(2S)-2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide N-tert-butyl-N'-[(2S)-2-(1-methy…
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) | 1.29 | 4.58 | -40.92 | 3 | 7 | 1 | 69 | 402.563 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 2.11 | -7.05 | 2 | 7 | 0 | 68 | 401.555 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.