UCSF

ZINC00141469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 0.33 4.98 -15.59 4 7 0 97 207.241 2
Lo Low (pH 4.5-6) 0.33 5.44 -41.48 5 7 1 99 208.249 2
Lo Low (pH 4.5-6) 0.33 5.08 -33.77 5 7 1 99 208.249 2

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

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