UCSF

ZINC21537160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 2.65 8.63 -25.11 2 9 0 118 427.515 7
Hi High (pH 8-9.5) 3.30 6.85 -102.66 0 9 -2 127 425.499 7

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

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