UCSF

ZINC44233215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -0.79 0.2 -46.33 4 3 1 57 200.233 4
Hi High (pH 8-9.5) -0.79 -0.12 -6.02 3 3 0 55 199.225 4

Activity (Go SEA)

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