UCSF

ZINC34941127

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 No

Popular Name: (4E,5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolid (4E,5R)-5-(3,4-dimethoxyphenyl)-…

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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) 2.81 6.74 -63.02 0 9 -1 101 509.579 11 ↓
Mid Mid (pH 6-8) 2.81 9.01 -73.83 1 9 0 102 510.587 11 ↓
Lo Low (pH 4.5-6) 2.81 8.26 -55.88 2 9 1 99 511.595 11 ↓

Activity (Go SEA)

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