UCSF

ZINC95938287

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) -3.39 1.43 -81.44 5 10 -1 183 291.236 10
Mid Mid (pH 6-8) -3.39 3.21 -139.48 4 10 -2 186 290.228 10
Lo Low (pH 4.5-6) -3.39 1.86 -66.19 5 10 -1 183 291.236 10

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

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