UCSF

ZINC59113052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 21 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) 4.02 6.28 -8.87 2 6 0 95 310.668 3
Hi High (pH 8-9.5) 4.02 7.29 -42.46 1 6 -1 98 309.66 3

Activity (Go SEA)

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