UCSF

ZINC31538584

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 25 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) -2.73 1.28 -55.78 4 8 -1 136 362.387 5
Lo Low (pH 4.5-6) -2.73 1.6 -82.42 5 8 0 137 363.395 5

Activity (Go SEA)

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