UCSF

ZINC25862049

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 33 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) 3.79 8.02 -63.74 2 7 1 74 465.599 7
Mid Mid (pH 6-8) 3.79 5.71 -24.47 1 7 0 73 464.591 7

Activity (Go SEA)

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