UCSF

ZINC60021319

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 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) 0.15 5.33 -101.06 4 9 0 143 497.649 9
Hi High (pH 8-9.5) 0.15 4.94 -67.96 3 9 -1 141 496.641 9

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

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