UCSF

ZINC49543577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.87 9.72 -84.38 3 10 1 121 508.551 9
Mid Mid (pH 6-8) 0.87 7.43 -36.53 2 10 0 119 507.543 9

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

No pre-computed analogs available. Try a structural similarity search.