UCSF

ZINC26389434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 47 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) -1.28 -3.03 -57.87 12 16 1 271 661.781 16
Mid Mid (pH 6-8) -1.28 -3.37 -28.97 11 16 0 269 660.773 16

Activity (Go SEA)

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