UCSF

ZINC28530956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 42 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) -1.88 5.84 -83.97 9 15 0 243 588.666 9
Lo Low (pH 4.5-6) -1.88 4.72 -55.33 10 15 1 240 589.674 9

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

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