UCSF

ZINC33808574

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 No

Popular Name: (4Z,5S)-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyr (4Z,5S)-5-(3-ethoxy-4-isopentylo…

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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) 2.91 10.1 -54.04 0 9 -1 104 536.649 13 ↓
Mid Mid (pH 6-8) 2.91 12.42 -74.76 1 9 0 105 537.657 13 ↓
Lo Low (pH 4.5-6) 2.91 11.13 -63.41 2 9 1 103 538.665 13 ↓

Activity (Go SEA)

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