UCSF

ZINC21297861

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 17 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) 3.35 3.48 -39.06 4 3 1 60 239.383 2
Hi High (pH 8-9.5) 3.35 2.2 -9.22 3 3 0 55 238.375 2

Activity (Go SEA)

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