UCSF

ZINC39891054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 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) 3.63 8.52 -28.95 2 6 0 80 369.446 6
Hi High (pH 8-9.5) 3.82 5.94 -61.45 1 6 -1 87 368.438 6

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