UCSF

ZINC27644092

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 26 Yes

Popular Name: U-0126 U-0126

Find On: PubMed — Wikipedia — Google

CAS Number: 109511-58-2

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.08 -1.08 -47.29 13 6 1 158 389.574 7 ↓
Hi High (pH 8-9.5) 0.08 -1.47 -5.63 12 6 0 156 388.566 7 ↓
Mid Mid (pH 6-8) 0.08 -0.72 -124.13 14 6 2 159 390.582 7 ↓
Mid Mid (pH 6-8) 0.08 -1.49 -33.8 13 6 1 158 389.574 7 ↓
Lo Low (pH 4.5-6) 0.08 -1.1 -122.05 14 6 2 159 390.582 7 ↓

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

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