UCSF

ZINC59819441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 39 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) 6.86 14.16 -57.26 1 8 -1 102 525.581 6
Hi High (pH 8-9.5) 6.49 12.27 -101.15 0 8 -2 108 524.573 6

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

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