UCSF

ZINC39856584

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.87 13.56 -21.27 1 5 0 60 448.519 9
Hi High (pH 8-9.5) 6.05 11.17 -47.07 0 5 -1 67 447.511 9

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