UCSF

ZINC69505963

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 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) 0.10 0.96 -58.81 3 6 1 94 302.42 4
Hi High (pH 8-9.5) 0.10 0.57 -15.31 2 6 0 93 301.412 4
Hi High (pH 8-9.5) 0.10 0.56 -14.03 2 6 0 93 301.412 4

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

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