UCSF

ZINC37213504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) -0.34 3.79 -42.87 2 5 1 53 277.392 5
Hi High (pH 8-9.5) -0.34 2.6 -10.8 1 5 0 48 276.384 5
Mid Mid (pH 6-8) -0.34 4.78 -40.33 2 5 1 50 277.392 5

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

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