UCSF

ZINC36865559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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) 1.29 7.99 -44.76 2 5 1 47 257.383 3
Hi High (pH 8-9.5) 2.01 7.32 -44.52 0 5 -1 43 255.367 3
Hi High (pH 8-9.5) 2.01 7.57 -42.62 1 5 0 44 256.375 3
Hi High (pH 8-9.5) 1.29 8.11 -10 1 5 0 46 256.375 3

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

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