UCSF

ZINC20218903

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

Popular Name: (5S)-4-[(E)-3-(2-furyl)prop-2-enoyl]-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholinoethyl)- (5S)-4-[(E)-3-(2-furyl)prop-2-en…

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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) 2.23 8.1 -63.16 0 9 -1 105 495.552 11 ↓
Mid Mid (pH 6-8) 2.23 10.37 -77.15 1 9 0 106 496.56 11 ↓

Activity (Go SEA)

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