UCSF

ZINC37335063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) -0.06 -4 -33.54 1 8 -1 125 258.169 1
Hi High (pH 8-9.5) 0.09 -6.62 -82.11 0 8 -2 128 257.161 1
Lo Low (pH 4.5-6) -0.51 -1.32 -9.93 2 8 0 122 259.177 1

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

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