UCSF

ZINC19789939

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 34 No

Popular Name: 6-[(2S)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]h 6-[(2S)-4-hydroxy-2-(4-hydroxy-3…

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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) 2.89 10.58 -115.43 1 8 -2 130 463.486 11 ↓
Hi High (pH 8-9.5) 2.89 11.82 -175.62 0 8 -3 133 462.478 10 ↓
Lo Low (pH 4.5-6) 2.89 8.92 -63.32 2 8 -1 127 464.494 10 ↓

Activity (Go SEA)

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