UCSF

ZINC12502378

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 Yes

Popular Name: (S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamidehydrochloride (S)-1-((S)-3,3-Dimethyl-2-((S)-2…

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CAS Numbers: 762274-49-7 , 845745-37-1

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) 1.53 8.71 -46.25 4 7 1 95 443.612 7 ↓

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