UCSF

ZINC31973105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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 11.4 -58.32 1 4 0 59 306.365 4
Mid Mid (pH 6-8) 3.76 10.98 -57.81 0 4 -1 57 305.357 4

Activity (Go SEA)

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