UCSF

ZINC42137038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 1.31 5.65 -55.89 1 7 -1 99 260.258 3
Hi High (pH 8-9.5) 1.31 5.3 -116.31 0 7 -2 97 259.25 3
Lo Low (pH 4.5-6) 1.31 6.01 -45.47 2 7 0 100 261.266 3

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

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