UCSF

ZINC61455975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 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) 1.75 8.71 -31.55 3 2 1 30 261.433 6
Hi High (pH 8-9.5) 1.75 6.47 -1.23 2 2 0 29 260.425 6
Hi High (pH 8-9.5) 1.75 7.08 -40.55 3 2 1 31 261.433 6
Lo Low (pH 4.5-6) 1.75 8.93 -117.13 4 2 2 32 262.441 6

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

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