UCSF

ZINC09422007

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 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) 2.74 6.33 -22.7 2 8 0 100 444.491 7
Ref Reference (pH 7) 3.11 9.6 -24.97 2 8 0 97 444.491 7

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

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