UCSF

ZINC37218950

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) 2.98 8.07 -34.38 2 3 1 29 274.432 5
Mid Mid (pH 6-8) 2.98 6.84 -32.67 2 3 1 33 274.432 5
Lo Low (pH 4.5-6) 2.98 8.46 -78.37 3 3 2 31 275.44 5

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

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