UCSF

ZINC62029813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 15 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) 0.39 1.95 -39.99 3 3 1 40 233.401 6
Hi High (pH 8-9.5) 0.39 1.1 -2.85 2 3 0 38 232.393 6
Lo Low (pH 4.5-6) 0.39 3.7 -118.97 4 3 2 41 234.409 6

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

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