UCSF

ZINC05287132

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 23 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) 3.45 5.11 -12.26 1 5 0 70 332.425 6
Hi High (pH 8-9.5) 3.45 5.89 -53.8 0 5 -1 73 331.417 6
Lo Low (pH 4.5-6) 3.45 5.61 -39.44 2 5 1 72 333.433 6

Activity (Go SEA)

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