In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2010 | 16 | Yes |
Popular Name: (4S)-4-[(5-bromo-3-thienyl)methyl-methyl-amino]pentanoic (4S)-4-[(5-bromo-3-thienyl)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) | 2.38 | 8.52 | -51.06 | 1 | 3 | 0 | 45 | 306.225 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 6.66 | -43.54 | 0 | 3 | -1 | 43 | 305.217 | 6 | ↓ |