UCSF

ZINC42454793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.31 6.43 -52.75 4 5 1 83 309.821 7
Hi High (pH 8-9.5) 2.31 4.36 -15.31 3 5 0 82 308.813 7

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Rings

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