UCSF

ZINC58563706

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 22 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) -1.12 -1.11 -12.02 4 6 0 99 300.314 1
Lo Low (pH 4.5-6) -1.12 -0.67 -31.25 5 6 1 100 301.322 1

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

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