UCSF

ZINC05338788

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 16 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) 1.13 0.88 -10.35 1 5 0 63 212.212 1
Lo Low (pH 4.5-6) 1.13 0.88 -47.9 2 5 1 65 213.22 1
Lo Low (pH 4.5-6) 1.13 2.85 -78.76 1 5 0 67 212.212 1

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

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