UCSF

ZINC41680706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.49 9.42 -44.53 2 4 1 57 288.415 8
Hi High (pH 8-9.5) 2.68 7.2 -23.99 1 4 0 64 287.407 8

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Rings

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