UCSF

ZINC57352009

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 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) 4.31 8.65 -8.29 1 3 0 32 274.408 5
Lo Low (pH 4.5-6) 4.31 9.28 -33.85 2 3 1 34 275.416 5

Activity (Go SEA)

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