UCSF

ZINC69517242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 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) 3.70 5.89 -9.71 1 6 0 72 333.432 7
Lo Low (pH 4.5-6) 3.70 6.34 -40.13 2 6 1 73 334.44 7

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

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