UCSF

ZINC20179756

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 22 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) 1.38 5.25 -125.55 4 5 2 54 305.422 5
Hi High (pH 8-9.5) 1.38 2.99 -51.77 3 5 1 53 304.414 5

Activity (Go SEA)

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