UCSF

ZINC20219882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-nitrophenyl)-5H-pyrr (5S)-1-(2-dimethylaminoethyl)-3-…

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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) 2.94 10.52 -70.64 1 10 0 133 465.462 8 ↓
Hi High (pH 8-9.5) 2.94 7.98 -55.91 0 10 -1 132 464.454 8 ↓
Lo Low (pH 4.5-6) 2.94 9.7 -54.99 2 10 1 130 466.47 8 ↓

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