UCSF

ZINC39917427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.36 12.74 -41.75 1 5 1 41 408.566 8
Hi High (pH 8-9.5) 5.36 10.85 -12.42 0 5 0 40 407.558 8

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