UCSF

ZINC34932043

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 No

Popular Name: (4E,5S)-4-[hydroxy-(4-propoxyphenyl)methylene]-5-(3-isopentyloxyphenyl)-1-(4-pyridylmethyl)pyrrolidi (4E,5S)-4-[hydroxy-(4-propoxyphe…

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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) 5.11 13.08 -57.07 0 7 -1 92 513.614 12 ↓
Lo Low (pH 4.5-6) 5.11 12.33 -13.16 1 7 0 89 514.622 12 ↓
Lo Low (pH 4.5-6) 5.11 12.8 -47.83 2 7 1 90 515.63 12 ↓

Activity (Go SEA)

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