UCSF

ZINC52547225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.55 5.91 -29.49 2 3 1 29 243.415 10
Hi High (pH 8-9.5) 2.55 4.51 -1.81 1 3 0 24 242.407 10
Mid Mid (pH 6-8) 2.55 6.87 -96.54 3 3 2 30 244.423 10

Activity (Go SEA)

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