UCSF

ZINC39724192

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 29 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) 5.34 11.82 -17.41 1 5 0 72 399.475 5
Hi High (pH 8-9.5) 5.41 10.15 -50.88 0 5 -1 78 398.467 5

Activity (Go SEA)

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