UCSF

ZINC65731466

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 26 Yes

Popular Name: (2R)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1R)-3-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-c (2R)-1-[(2S)-3-(1H-imidazol-5-yl…

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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) -1.32 1.73 -22.7 4 9 0 138 361.402 6 ↓
Mid Mid (pH 6-8) -1.32 2.24 -50.26 5 9 1 140 362.41 6 ↓

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

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