UCSF

ZINC12088768

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2008 32 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) 3.66 0.38 -14.43 1 8 0 95 431.496 8
Lo Low (pH 4.5-6) 3.66 0.44 -40.2 2 8 1 96 432.504 8

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

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