UCSF

ZINC95884351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 16 Yes

Other Names:

MFCD00458799

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) -1.12 -1.67 -50.47 2 6 -1 105 221.192 3
Mid Mid (pH 6-8) -1.12 -0.97 -141.27 1 6 -2 108 220.184 3

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

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