UCSF

ZINC70302044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 No

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) -0.22 1.97 -58.86 2 8 1 113 273.294 3
Mid Mid (pH 6-8) -0.22 0.72 -12.2 1 8 0 108 272.286 3

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

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