UCSF

ZINC60561959

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 24 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) 2.11 8.16 -96.41 2 5 2 46 365.49 10
Hi High (pH 8-9.5) 2.11 5.68 -42.17 1 5 1 45 364.482 10

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Rings

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