UCSF

ZINC62533177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 0.83 2.02 -42.58 4 5 1 69 258.386 6
Hi High (pH 8-9.5) 0.83 0.17 -6.78 3 5 0 68 257.378 6
Lo Low (pH 4.5-6) 0.83 2.96 -115.63 5 5 2 73 259.394 6

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

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