UCSF

ZINC05818930

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.76 7.81 -15.58 2 4 0 97 318.355 1
Mid Mid (pH 6-8) 3.76 7.63 -66.95 3 4 1 99 319.363 1

Activity (Go SEA)

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