UCSF

ZINC62838590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 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) 0.39 5.79 -52.17 4 4 1 65 271.369 4
Hi High (pH 8-9.5) 0.39 5.37 -7.8 3 4 0 64 270.361 4
Lo Low (pH 4.5-6) 0.39 6.25 -97.19 5 4 2 67 272.377 4

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

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