UCSF

ZINC46034717

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 20 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) 2.86 6.12 -43.33 2 4 1 51 297.444 6
Hi High (pH 8-9.5) 2.86 3.9 -8.17 1 4 0 49 296.436 6

Activity (Go SEA)

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