UCSF

ZINC36693900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 31 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) 4.07 4.53 -20.56 1 8 0 111 443.525 10
Hi High (pH 8-9.5) 4.14 2.4 -55 0 8 -1 118 442.517 10

Activity (Go SEA)

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