UCSF

ZINC27662450

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 32 No

Popular Name: (5R)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(2-dimethylaminoethyl)-4-(2,5-dimethylbenzoyl)-3-hydro (5R)-5-(3-bromo-4-hydroxy-5-meth…

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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) 3.54 8.78 -56.63 2 7 0 94 503.393 7 ↓
Hi High (pH 8-9.5) 3.54 9.55 -90.64 1 7 -1 97 502.385 7 ↓
Hi High (pH 8-9.5) 3.54 7.01 -104.72 0 7 -2 96 501.377 7 ↓
Lo Low (pH 4.5-6) 3.54 7.97 -47.54 3 7 1 92 504.401 7 ↓

Activity (Go SEA)

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