UCSF

ZINC25337430

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 29 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) 2.46 9.61 -121.41 2 6 2 69 416.591 5
Hi High (pH 8-9.5) 2.46 6.87 -12.97 0 6 0 66 414.575 5

Activity (Go SEA)

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