UCSF

ZINC15880056

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 37 No

Popular Name: (4E,5S)-1-(2-diethylaminoethyl)-4-[hydroxy-(4-morpholinosulfonylphenyl)methylene]-5-phenyl-pyrrolidi (4E,5S)-1-(2-diethylaminoethyl)-…

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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) 2.32 8.23 -69.91 1 9 0 111 527.643 10 ↓
Hi High (pH 8-9.5) 2.32 6.15 -61.84 0 9 -1 110 526.635 10 ↓
Lo Low (pH 4.5-6) 2.32 7.47 -51.78 2 9 1 109 528.651 10 ↓

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