UCSF

ZINC51481203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 2.12 6.39 -42.82 2 4 1 46 263.39 5
Hi High (pH 8-9.5) 2.12 4.94 -9.24 1 4 0 41 262.382 5
Lo Low (pH 4.5-6) 2.12 6.51 -96.94 3 4 2 47 264.398 5

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

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