UCSF

ZINC71565071

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 24 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) 1.24 -0.55 -49.6 3 8 -1 137 366.4 5
Hi High (pH 8-9.5) 1.70 -3.17 -102.37 2 8 -2 140 365.392 5
Mid Mid (pH 6-8) 1.24 -0.79 -18.42 4 8 0 135 367.408 5

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

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