UCSF

ZINC62975883

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 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) 1.50 5.51 -40.62 4 5 1 63 289.403 4
Hi High (pH 8-9.5) 1.50 3.48 -6.24 3 5 0 62 288.395 4
Lo Low (pH 4.5-6) 1.50 5.38 -110.53 5 5 2 64 290.411 4

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

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