UCSF

ZINC24887155

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 4.22 9.35 -44.74 2 4 1 46 303.474 3
Lo Low (pH 4.5-6) 4.22 9.73 -88.9 3 4 2 47 304.482 3

Activity (Go SEA)

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