UCSF

ZINC62966021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.59 8.72 -67.64 1 5 0 65 296.411 5
Hi High (pH 8-9.5) 1.59 6.31 -49.89 0 5 -1 64 295.403 5
Lo Low (pH 4.5-6) 1.59 6.74 -40.4 2 5 1 62 297.419 5

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

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