UCSF

ZINC49067010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 5.02 12.42 -20.01 1 7 0 66 500.622 7
Mid Mid (pH 6-8) 5.02 14.63 -60.1 2 7 1 67 501.63 7
Lo Low (pH 4.5-6) 5.02 14.74 -105.29 3 7 2 68 502.638 7

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

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