UCSF

ZINC31992738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.83 2.89 -62.5 3 5 1 78 242.258 1
Mid Mid (pH 6-8) -0.83 2.57 -15.69 2 5 0 76 241.25 1

Activity (Go SEA)

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