UCSF

ZINC08792160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 35 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) 2.96 -2.2 -26.93 1 8 0 93 468.513 7
Lo Low (pH 4.5-6) 2.96 -2.03 -58.09 2 8 1 94 469.521 7

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

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