UCSF

ZINC41681719

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) 1.70 4.88 -93.29 4 5 2 67 315.483 9
Hi High (pH 8-9.5) 1.70 3.71 -43.59 3 5 1 63 314.475 9

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Rings

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