UCSF

ZINC39849504

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

Popular Name: (2S)-2-(3-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(3-morpholinopropyl)-2H-pyrrol (2S)-2-(3-allyloxyphenyl)-3-[(E)…

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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) 2.65 8.89 -60.54 0 8 -1 95 477.537 11 ↓
Mid Mid (pH 6-8) 2.65 11.16 -75.67 1 8 0 96 478.545 11 ↓
Lo Low (pH 4.5-6) 2.65 10.27 -49.67 2 8 1 94 479.553 11 ↓

Activity (Go SEA)

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