UCSF

ZINC65314467

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 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) 2.10 7.57 -17.92 2 9 0 110 397.435 8
Hi High (pH 8-9.5) 2.11 7.02 -64.71 1 9 -1 113 396.427 9

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

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