UCSF

ZINC33777468

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 No

Popular Name: (4Z,5S)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(2-diethylaminoethyl)-4-[hydroxy(4-pyridyl)methylen (4Z,5S)-5-(3-bromo-4-hydroxy-5-m…

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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) 2.18 8.04 -66.51 2 8 0 107 504.381 9 ↓
Hi High (pH 8-9.5) 2.18 6.49 -101.33 0 8 -2 109 502.365 9 ↓
Mid Mid (pH 6-8) 2.18 8.81 -101 1 8 -1 110 503.373 9 ↓
Lo Low (pH 4.5-6) 2.18 6.75 -59.77 3 8 1 104 505.389 9 ↓

Activity (Go SEA)

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