UCSF

ZINC62978918

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 2.29 7.22 -82.47 3 3 2 24 255.45 6
Hi High (pH 8-9.5) 2.29 3.86 -0.79 1 3 0 19 253.434 6
Hi High (pH 8-9.5) 2.29 6.53 -29.74 2 3 1 20 254.442 6
Hi High (pH 8-9.5) 2.29 5.12 -30.78 2 3 1 23 254.442 6

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

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