UCSF

ZINC38464562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 21 No

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Annotations

Vendors

    None

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) -2.71 -0.43 -523.73 1 12 -5 214 367.056 6
Lo Low (pH 4.5-6) -2.71 -2.72 -207.42 3 12 -3 209 369.072 6
Lo Low (pH 4.5-6) -2.71 -1.58 -344.88 2 12 -4 212 368.064 6

Activity (Go SEA)

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