UCSF

ZINC70304358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 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) 1.02 1.24 -119.56 3 6 2 73 317.187 6
Hi High (pH 8-9.5) 1.02 -0.21 -40.73 2 6 1 69 316.179 6
Mid Mid (pH 6-8) 1.02 -1.09 -45.35 2 6 1 72 316.179 6

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

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