UCSF

ZINC95921578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2014 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.06 -3.32 -149.37 2 10 -2 158 314.183 6
Mid Mid (pH 6-8) -2.06 -4.47 -53.46 3 10 -1 155 315.191 6

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

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