UCSF

ZINC37383006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) -0.16 -5.92 -11.84 5 6 0 113 246.288 5
Hi High (pH 8-9.5) -0.16 -5.16 -43.69 4 6 -1 115 245.28 5

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Rings

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