UCSF

ZINC04899569

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 17 Yes

Popular Name: Cyclo(-his-pro) Cyclo(-his-pro)

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CAS Number: 53109-32-3

Other Names:

MFCD00133207

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) -0.96 1.97 -12.29 2 6 0 78 234.259 2 ↓
Ref Reference (pH 7) -0.77 -0.99 -11.65 2 6 0 82 234.259 2 ↓
Mid Mid (pH 6-8) -0.96 2.49 -42.98 3 6 1 79 235.267 2 ↓
Mid Mid (pH 6-8) -0.96 1.97 -11.72 2 6 0 78 234.259 2 ↓
Mid Mid (pH 6-8) -0.77 -1.04 -13 2 6 0 82 234.259 2 ↓
Mid Mid (pH 6-8) -0.77 -0.48 -38.13 3 6 1 83 235.267 2 ↓

Activity (Go SEA)

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