UCSF

ZINC68915281

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 30 Yes

Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-pro (2S)-2-[[5-(5-chloro-2-methoxy-p…

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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) 3.96 11.16 -15.42 1 7 0 95 441.944 8 ↓
Hi High (pH 8-9.5) 3.96 10.83 -52.02 0 7 -1 93 440.936 8 ↓

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

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