UCSF

ZINC52547223

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) 2.86 5.39 -33.87 2 3 1 29 245.431 10
Hi High (pH 8-9.5) 2.86 4.31 -0.76 1 3 0 24 244.423 10
Mid Mid (pH 6-8) 2.86 6.5 -97.32 3 3 2 30 246.439 10

Activity (Go SEA)

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