UCSF

ZINC62320373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 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) -0.25 5.04 -51.86 0 6 -1 74 243.246 1
Mid Mid (pH 6-8) -0.25 4.5 -35.59 2 6 1 73 245.262 1
Mid Mid (pH 6-8) -0.25 3.02 -30.49 1 6 0 75 244.254 1
Mid Mid (pH 6-8) -0.25 3.49 -52.74 2 6 1 77 245.262 1
Mid Mid (pH 6-8) -0.25 5.5 -56.75 1 6 0 75 244.254 1
Mid Mid (pH 6-8) -0.25 4.03 -13.04 1 6 0 71 244.254 1

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

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