UCSF

ZINC60020171

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 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) 6.03 8.71 -8.41 3 3 0 52 377.528 5
Lo Low (pH 4.5-6) 6.03 9.23 -40.44 4 3 1 57 378.536 5

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

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