UCSF

ZINC52452383

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) 1.69 7.43 -87.67 3 3 2 34 255.431 7
Hi High (pH 8-9.5) 1.69 5.36 -35.32 2 3 1 33 254.423 7
Hi High (pH 8-9.5) 1.69 6.13 -32.47 2 3 1 29 254.423 7
Hi High (pH 8-9.5) 1.69 4.06 -3.08 1 3 0 28 253.415 7

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

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