UCSF

ZINC13403341

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 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) -1.45 -5.24 -13.03 6 11 0 180 287.232 4
Lo Low (pH 4.5-6) -1.45 -5.04 -43.18 7 11 1 181 288.24 4
Lo Low (pH 4.5-6) -1.45 -9 -44.29 7 11 1 181 288.24 4

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

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