UCSF

ZINC13672879

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 5.19 10.12 -12.07 3 5 0 62 417.55 10
Lo Low (pH 4.5-6) 5.23 9.68 -39.6 3 5 1 64 418.558 9

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

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