UCSF

ZINC63731668

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 29 No

Popular Name: (5R,6S)-6-amino-1-isobutyl-5-[2-[[(2R)-5-methoxy-2H-benzimidazol-2-yl]sulfanyl]acetyl]-3-methyl-hexa (5R,6S)-6-amino-1-isobutyl-5-[2-…

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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) 1.31 2.87 -74.12 4 9 1 127 420.515 7 ↓
Mid Mid (pH 6-8) 1.31 2.91 -108.84 5 9 2 128 421.523 7 ↓

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

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