UCSF

ZINC62963241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 0.59 -0.09 -12.14 2 4 0 73 260.384 2
Lo Low (pH 4.5-6) 0.59 0.47 -37.82 3 4 1 74 261.392 2
Lo Low (pH 4.5-6) 0.59 0.12 -52.65 3 4 1 75 261.392 2

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

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