UCSF

ZINC38581381

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 19 Yes

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) 1.16 5.38 -37.05 0 6 -1 67 253.289 3
Mid Mid (pH 6-8) 1.16 5.94 -9.42 1 6 0 65 254.297 3
Mid Mid (pH 6-8) 1.16 6.14 -47.55 1 6 0 68 254.297 3

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

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