UCSF

ZINC38600038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 0.53 1.6 -44.95 4 6 1 85 310.37 5
Hi High (pH 8-9.5) 0.53 2.16 -7.3 3 6 0 83 309.362 5

Activity (Go SEA)

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