UCSF

ZINC20189003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 2.49 6.43 -33.58 2 2 1 16 239.408 4
Lo Low (pH 4.5-6) 2.49 7.71 -104.98 3 2 2 21 240.416 4

Activity (Go SEA)

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