UCSF

ZINC35025547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

Popular Name: (4E,5S)-4-[hydroxy-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]methylene]-5-phenyl-1-(4-pyridylmethyl) (4E,5S)-4-[hydroxy-[(2S)-2-methy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.88 10.29 -59.5 0 6 -1 83 425.464 5 ↓
Lo Low (pH 4.5-6) 2.88 9.54 -14.34 1 6 0 80 426.472 5 ↓
Lo Low (pH 4.5-6) 2.88 10 -49.59 2 6 1 81 427.48 5 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )