UCSF

ZINC00795010

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 No

Popular Name: (5S)-5-(4-chlorophenyl)-4-(2-furoyl)-2-keto-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-pyrrolin-3-olate (5S)-5-(4-chlorophenyl)-4-(2-fur…

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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) 2.69 7.22 -63.4 0 6 -1 83 386.811 5 ↓
Lo Low (pH 4.5-6) 2.69 6.47 -15.19 1 6 0 80 387.819 5 ↓

Activity (Go SEA)

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