UCSF

ZINC71774688

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2011 29 Yes

Popular Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-p (2R)-2-[[(2S)-2-[[2-[[(2R)-2-ami…

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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) -1.44 3.23 -80.01 6 9 0 155 406.483 11 ↓
Mid Mid (pH 6-8) -1.44 2.83 -55.1 5 9 -1 153 405.475 11 ↓

Activity (Go SEA)

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