UCSF

ZINC16247095

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 31 No

Popular Name: (5S)-5-(4-allyloxy-3-methoxy-phenyl)-1-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-3-hydroxy-5H-pyrr (5S)-5-(4-allyloxy-3-methoxy-phe…

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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) 1.96 9.31 -83.02 1 8 0 96 426.469 10 ↓
Hi High (pH 8-9.5) 1.96 6.78 -62.87 0 8 -1 95 425.461 10 ↓
Mid Mid (pH 6-8) 2.40 9.06 -69.19 2 8 1 94 427.477 9 ↓
Mid Mid (pH 6-8) 1.37 9.1 -68.84 1 8 1 90 427.477 10 ↓

Activity (Go SEA)

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