UCSF

ZINC19830410

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 No

Popular Name: (5S)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-morpholinopropyl)-4-[(E)-3-phenylprop-2-enoyl]-5H-pyrrol-2-o (5S)-3-hydroxy-5-(4-methoxypheny…

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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) 2.95 9.43 -58.71 0 7 -1 82 461.538 8 ↓
Ref Reference (pH 7) 2.95 9.11 -63.02 0 7 -1 82 461.538 9 ↓
Mid Mid (pH 6-8) 2.95 11.12 -78.95 1 7 0 83 462.546 9 ↓
Mid Mid (pH 6-8) 2.95 11.45 -76.06 1 7 0 83 462.546 8 ↓
Lo Low (pH 4.5-6) 2.95 10.49 -54.87 2 7 1 81 463.554 9 ↓

Activity (Go SEA)

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