UCSF

ZINC04470010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 24 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) 0.97 3.42 -62.3 3 7 -1 110 326.332 5
Lo Low (pH 4.5-6) 0.97 2.68 -31.74 4 7 0 108 327.34 5

Activity (Go SEA)

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