In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 10th, 2009 | 32 | Yes |
Popular Name: (2S)-1-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)propan-2-ol (2S)-1-[benzyl-[2-(3,4-dimethoxy…
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) | 4.65 | 11.01 | -50.33 | 2 | 5 | 1 | 52 | 436.572 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.65 | 9.04 | -10.99 | 1 | 5 | 0 | 51 | 435.564 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.