UCSF

ZINC49553055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 34 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) 2.32 3.51 -105.63 1 10 -2 150 500.558 4
Mid Mid (pH 6-8) 2.32 3.46 -53.48 2 10 -1 148 501.566 4

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

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