UCSF

ZINC35234840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) 2.48 5.73 -104.57 4 2 2 32 226.408 2
Hi High (pH 8-9.5) 2.48 3.9 -43.78 3 2 1 31 225.4 2
Hi High (pH 8-9.5) 2.48 5.36 -27.5 3 2 1 30 225.4 2

Activity (Go SEA)

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