UCSF

ZINC55117130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 No

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Annotations

None

Vendors

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) 2.32 5.3 -10.09 2 6 0 74 348.472 7
Lo Low (pH 4.5-6) 2.32 6.24 -23.5 3 6 0 75 349.48 7
Lo Low (pH 4.5-6) 2.32 6.08 -23.12 3 6 0 75 349.48 7

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

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