UCSF

ZINC50064886

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 No

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) -0.25 -0.25 -23.64 1 8 0 98 282.3 6
Mid Mid (pH 6-8) -0.43 -1.8 -55.08 0 8 -1 104 281.292 6
Mid Mid (pH 6-8) -0.25 1.55 -50.59 2 8 1 99 283.308 6

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

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