UCSF

ZINC98087963

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 29 No

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Annotations

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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) 0.79 10.89 -36.3 3 6 0 107 388.423 7
Mid Mid (pH 6-8) 0.79 10.43 -48 2 6 -1 105 387.415 7
Lo Low (pH 4.5-6) 0.79 11.36 -69.07 4 6 1 108 389.431 7

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

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