UCSF

ZINC39557350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 29 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) 2.11 5.92 -95.91 0 8 -2 124 396.33 5
Lo Low (pH 4.5-6) 1.65 8.59 -53.01 1 8 -1 121 397.338 5

Activity (Go SEA)

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