UCSF

ZINC62591912

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 35 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) 4.92 8.78 -13.69 4 7 0 95 488.975 8
Hi High (pH 8-9.5) 4.92 9.55 -53.15 3 7 -1 98 487.967 8

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

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