UCSF

ZINC57878713

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 17 Yes

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) 1.13 5.64 -59.01 2 5 1 70 251.335 3
Mid Mid (pH 6-8) 1.13 3.45 -18.37 1 5 0 69 250.327 3

Activity (Go SEA)

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