UCSF

ZINC55069923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 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) 1.81 4.95 -33.68 2 4 1 43 265.425 6
Hi High (pH 8-9.5) 1.81 3.04 -6.33 1 4 0 42 264.417 6
Lo Low (pH 4.5-6) 1.81 6.5 -93.68 3 4 2 48 266.433 6

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

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