UCSF

ZINC14989392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 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) -4.05 -1.51 -31.7 4 7 1 107 179.163 1
Lo Low (pH 4.5-6) -4.05 -1.27 -96.16 5 7 2 108 180.171 1

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

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