UCSF

ZINC37821036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.31 4.78 -8.61 2 4 0 70 245.326 5
Mid Mid (pH 6-8) -0.31 5.13 -47.28 3 4 1 72 246.334 5

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Rings

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