UCSF

ZINC52830957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 14 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) -0.18 1.38 -10.31 1 5 0 56 195.222 3
Mid Mid (pH 6-8) -0.18 1.54 -34.48 2 5 1 58 196.23 3
Mid Mid (pH 6-8) -0.18 1.55 -31.12 2 5 1 58 196.23 3

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

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