UCSF

ZINC41684953

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) 0.43 4.89 -64.7 4 5 1 83 293.318 6
Hi High (pH 8-9.5) 0.43 4.48 -19.02 3 5 0 81 292.31 6

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Rings

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