UCSF

ZINC20189093

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Substance Information

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

Popular Name: (5R)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-[(E)-3-phenylprop-2-enoyl]-5H- (5R)-5-(3-ethoxy-4-hydroxy-pheny…

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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) 2.61 7.85 -60.21 1 8 -1 102 491.564 9 ↓
Ref Reference (pH 7) 2.61 7.51 -64.99 1 8 -1 102 491.564 10 ↓
Hi High (pH 8-9.5) 2.61 8.81 -115.51 0 8 -2 105 490.556 9 ↓
Mid Mid (pH 6-8) 2.61 9.69 -65.54 2 8 0 104 492.572 10 ↓
Mid Mid (pH 6-8) 2.61 10.2 -78.81 2 8 0 104 492.572 9 ↓
Lo Low (pH 4.5-6) 2.61 8.88 -55.96 3 8 1 101 493.58 10 ↓

Activity (Go SEA)

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