UCSF

ZINC16447794

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 35 Yes

Popular Name: (4R)-3-(2-hydroxy-4,5-dimethyl-phenyl)-5-(2-hydroxyethyl)-4-(4-isopentyloxy-3-methoxy-phenyl)-1,4-di (4R)-3-(2-hydroxy-4,5-dimethyl-p…

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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) 4.21 6.91 -13.98 3 8 0 108 479.577 9 ↓
Hi High (pH 8-9.5) 4.21 7.72 -49.97 2 8 -1 111 478.569 9 ↓

Activity (Go SEA)

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