UCSF

ZINC33583313

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 28 No

Popular Name: (2R)-2-(3-bromophenyl)-1-(2-dimethylaminoethyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2H-pyrrol- (2R)-2-(3-bromophenyl)-1-(2-dime…

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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) 2.64 10.42 -70.94 1 6 0 78 445.313 7 ↓
Hi High (pH 8-9.5) 2.64 7.89 -55.68 0 6 -1 77 444.305 7 ↓
Lo Low (pH 4.5-6) 2.64 9.46 -49.12 2 6 1 75 446.321 7 ↓

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