UCSF

ZINC41071021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 19 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) -1.69 -3.36 -20.5 4 9 0 144 307.357 4
Hi High (pH 8-9.5) -1.69 -3.52 -39.21 3 9 -1 146 306.349 4

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

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