UCSF

ZINC65494157

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 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) 3.40 3.74 -45.59 2 7 1 79 351.434 5
Hi High (pH 8-9.5) 3.40 2.07 -5.57 1 7 0 78 350.426 5
Lo Low (pH 4.5-6) 3.40 5.15 -152.2 3 7 2 84 352.442 5

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

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