UCSF

ZINC42454777

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.40 6.02 -56.52 4 5 1 83 275.376 6
Hi High (pH 8-9.5) 1.40 3.98 -13.23 3 5 0 82 274.368 6

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Rings

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