UCSF

ZINC35633780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.90 5.85 -49.45 2 4 1 54 299.46 7
Hi High (pH 8-9.5) 2.90 4.68 -8.14 1 4 0 49 298.452 7

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Rings

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