UCSF

ZINC69489316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 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) 0.44 7.34 -32.72 1 5 1 43 275.376 4
Hi High (pH 8-9.5) 0.44 6.88 -15.85 0 5 0 41 274.368 4
Lo Low (pH 4.5-6) 0.44 9.11 -44.67 1 5 1 43 275.376 4

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

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