In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 20 | No |
Popular Name: (2S)-2-[2-(aminomethyl)-4-bromo-phenoxy]-N-(ethylcarbamoyl)propanamide (2S)-2-[2-(aminomethyl)-4-bromo-…
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) | 1.41 | 3.28 | -57.04 | 5 | 6 | 1 | 95 | 345.217 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 2.89 | -25.37 | 4 | 6 | 0 | 93 | 344.209 | 5 | ↓ |