UCSF

ZINC35485647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 3.26 9.51 -48.78 0 5 -1 87 336.452 10
Hi High (pH 8-9.5) 3.84 8.55 -98.75 0 5 -2 93 335.444 9

Activity (Go SEA)

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