UCSF

ZINC13412182

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 26 No

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Annotations

Vendors

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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) 1.63 6.98 -71.08 1 10 -1 154 362.249 5
Hi High (pH 8-9.5) 2.09 4.75 -137.95 0 10 -2 157 361.241 5

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

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