UCSF

ZINC37827408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.38 1.44 -58.38 4 4 1 68 277.266 6
Hi High (pH 8-9.5) 0.38 1.04 -10.86 3 4 0 67 276.258 6

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Rings

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