UCSF

ZINC04248580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 1.97 7.71 -13.59 0 4 0 47 229.264 2
Mid Mid (pH 6-8) 1.97 8.19 -31.39 1 4 1 49 230.272 2

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

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