UCSF

ZINC56110569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2010 28 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) 0.78 2.57 -43.07 2 9 -1 129 379.331 3
Mid Mid (pH 6-8) 0.78 3.04 -57.2 3 9 0 130 380.339 3
Lo Low (pH 4.5-6) 0.32 4.97 -39.01 4 9 1 127 381.347 3

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

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