UCSF

ZINC49550363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 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) 1.86 5.05 -11.76 1 5 0 63 304.353 3
Ref Reference (pH 7) 1.67 7.69 -12.9 1 5 0 60 304.353 3
Lo Low (pH 4.5-6) 1.86 5.54 -41.66 2 5 1 65 305.361 3
Lo Low (pH 4.5-6) 1.67 8.19 -42.79 2 5 1 61 305.361 3

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

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