UCSF

ZINC36101836

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 No

Popular Name: (2S,5R)-4-amino-5-benzoyl-1-(4-chlorophenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carbonitrile (2S,5R)-4-amino-5-benzoyl-1-(4-c…

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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) 4.27 9.8 -14.07 2 6 0 104 463.946 5 ↓
Lo Low (pH 4.5-6) 4.27 9.54 -60.75 3 6 1 106 464.954 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.