UCSF

ZINC21568639

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 1.14 6.93 -24.02 2 8 0 98 392.481 7
Lo Low (pH 4.5-6) 1.14 7.34 -49.33 3 8 1 100 393.489 7

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