UCSF

ZINC35367851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 21 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) 0.79 6.62 -91.06 4 6 2 68 293.415 5
Mid Mid (pH 6-8) 0.79 4.43 -30.52 3 6 1 67 292.407 5
Mid Mid (pH 6-8) 0.79 6.31 -38.47 3 6 1 67 292.407 5
Mid Mid (pH 6-8) 0.79 4.12 -9.92 2 6 0 66 291.399 5

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

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