UCSF

ZINC40848041

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 33 Yes

Popular Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-N-[(2R)-2-amino-3-phenyl-propyl]-3-phenyl-propanamid (2S)-2-[[(2S)-2-amino-3-phenyl-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) 1.65 7.38 -106.05 8 6 2 113 446.595 11 ↓
Hi High (pH 8-9.5) 1.65 6.75 -10.02 6 6 0 110 444.579 11 ↓
Mid Mid (pH 6-8) 1.65 7.08 -57.56 7 6 1 112 445.587 11 ↓

Activity (Go SEA)

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