UCSF

ZINC32501662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 16 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) 0.77 3.22 -50.62 2 6 -1 102 218.192 3
Hi High (pH 8-9.5) 0.31 5.66 -116.4 1 6 -2 100 217.184 2
Hi High (pH 8-9.5) 0.77 3.98 -109 1 6 -2 105 217.184 3

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

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