UCSF

ZINC60022803

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 3.57 13.76 -53.93 1 4 1 28 364.513 4
Hi High (pH 8-9.5) 3.57 11.53 -9.81 0 4 0 27 363.505 4

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

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