UCSF

ZINC28090988

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 45 No

Popular Name: (2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-N-[(1S)-1-[[(1S)-1-benzyl-2-[[(1S)-2-(benzylamino)- (2S)-2-[[(2S)-2-amino-3-hydroxy-…

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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) -1.08 -1.23 -49 11 14 1 236 626.735 17 ↓
Mid Mid (pH 6-8) -1.08 -2.6 -29.38 10 14 0 235 625.727 17 ↓

Activity (Go SEA)

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