UCSF

ZINC39763859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 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) 2.17 9.45 -23.65 2 11 0 148 477.503 10
Hi High (pH 8-9.5) 2.35 8.23 -45.17 1 11 -1 154 476.495 10

Activity (Go SEA)

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