UCSF

ZINC52448039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 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) 1.82 7.43 -85.62 3 3 2 34 255.431 8
Hi High (pH 8-9.5) 1.82 6.14 -31.03 2 3 1 29 254.423 8
Hi High (pH 8-9.5) 1.82 5.28 -35.48 2 3 1 33 254.423 8
Hi High (pH 8-9.5) 1.82 3.97 -3.25 1 3 0 28 253.415 8

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

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