UCSF

ZINC39971764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 17 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) 3.91 5.79 -9.3 1 3 0 46 255.383 7
Hi High (pH 8-9.5) 3.91 5.96 -43.17 0 3 -1 48 254.375 7

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