UCSF

ZINC69090897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 1.12 9.62 -60.14 3 4 1 61 283.436 7
Hi High (pH 8-9.5) 1.12 9.62 -35.01 2 4 0 57 282.428 7
Hi High (pH 8-9.5) 1.12 8.88 -29.45 2 4 0 60 282.428 7

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

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