In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[[(1R)-1-methyl-3-phenyl-propyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-methyl-3-phenyl-…
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) | 3.75 | 10.8 | -30.66 | 2 | 3 | 0 | 57 | 303.427 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 9.81 | -41.79 | 1 | 3 | -1 | 52 | 302.419 | 8 | ↓ |