UCSF

ZINC22044017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.76 3.62 -45.58 3 3 1 40 249.378 5
Lo Low (pH 4.5-6) 1.76 5.96 -123.74 4 3 2 41 250.386 5

Activity (Go SEA)

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