UCSF

ZINC05790302

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 29 Yes

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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) 2.94 4.19 -11.76 3 7 0 99 393.443 5
Hi High (pH 8-9.5) 2.72 3.97 -58.32 1 7 -1 98 392.435 5
Hi High (pH 8-9.5) 2.72 4.77 -57.48 1 7 -1 98 392.435 5

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