UCSF

ZINC22205785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.61 2.48 -53.13 4 4 1 66 276.356 8
Hi High (pH 8-9.5) 1.61 0.95 -11.06 3 4 0 62 275.348 8

Activity (Go SEA)

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