UCSF

ZINC10512000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 31 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) 2.15 -3.67 -103.06 1 11 -2 163 453.425 11
Hi High (pH 8-9.5) 2.15 -3.23 -196.54 0 11 -3 165 452.417 11

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

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