UCSF

ZINC66074799

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 No

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) 4.82 13.19 -60.68 0 9 -1 94 507.622 7
Mid Mid (pH 6-8) 4.82 13.42 -63.73 1 9 0 95 508.63 7
Lo Low (pH 4.5-6) 4.82 13.43 -38.4 2 9 1 97 509.638 7

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

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