UCSF

ZINC42681430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 No

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Annotations

None

Vendors

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) -0.67 3.61 -45.78 2 5 1 57 258.367 1
Mid Mid (pH 6-8) -0.67 2.74 -18.91 1 5 0 53 257.359 1

Activity (Go SEA)

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