UCSF

ZINC39988388

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 23 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) -0.59 0.75 -44.13 3 7 1 85 333.449 3
Mid Mid (pH 6-8) -0.59 0.42 -7.33 2 7 0 83 332.441 3

Activity (Go SEA)

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