UCSF

ZINC33774592

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 No

Popular Name: (4Z,5S)-4-[(4-allyloxy-3-methyl-phenyl)-hydroxy-methylene]-5-(4-butoxyphenyl)-1-(2-morpholinoethyl)p (4Z,5S)-4-[(4-allyloxy-3-methyl-…

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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) 4.83 10.86 -54.89 0 8 -1 91 533.645 13 ↓
Mid Mid (pH 6-8) 4.83 13.19 -68.64 1 8 0 93 534.653 13 ↓
Lo Low (pH 4.5-6) 4.83 11.89 -58.71 2 8 1 90 535.661 13 ↓

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