UCSF

ZINC52831175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 0.40 1.62 -8.89 1 5 0 50 222.292 4
Mid Mid (pH 6-8) 0.40 3.92 -43.47 2 5 1 51 223.3 4
Mid Mid (pH 6-8) 0.40 1.79 -30.04 2 5 1 52 223.3 4
Mid Mid (pH 6-8) 0.40 1.78 -32.95 2 5 1 52 223.3 4

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

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