UCSF

ZINC38577496

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Popular Name: (3R)-2-[[(2S)-3-cyano-5-(p-tolyl)-2H-pyrrol-2-yl]disulfanyl]-5-(p-tolyl)-3H-pyrrole-3-carbonitrile (3R)-2-[[(2S)-3-cyano-5-(p-tolyl…

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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) 5.63 13.47 -12.09 0 4 0 72 426.57 5 ↓
Lo Low (pH 4.5-6) 5.63 13.98 -35.89 1 4 1 74 427.578 5 ↓
Lo Low (pH 4.5-6) 5.63 13.98 -36.91 1 4 1 74 427.578 5 ↓

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

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