UCSF

ZINC67227465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 22 Yes

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) 1.78 6.21 -33.85 1 6 1 56 308.402 4
Hi High (pH 8-9.5) 1.78 5.74 -10.34 0 6 0 55 307.394 4
Mid Mid (pH 6-8) 1.78 6.71 -38.58 1 6 1 56 308.402 4

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

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