UCSF

ZINC36123528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 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) 4.82 10.37 -15.78 1 6 0 79 490.606 3
Hi High (pH 8-9.5) 5.28 8.36 -55.81 0 6 -1 83 489.598 3

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

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