UCSF

ZINC79494036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 23 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) 1.98 7.05 -20.03 1 5 0 56 309.369 6
Lo Low (pH 4.5-6) 1.98 7.4 -47.6 2 5 1 57 310.377 6

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

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