UCSF

ZINC37111183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.87 6.27 -129.92 4 4 2 51 282.428 8
Hi High (pH 8-9.5) 1.87 6.01 -34.28 3 4 1 49 281.42 8
Mid Mid (pH 6-8) 1.87 4.66 -52.23 3 4 1 49 281.42 8

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Rings

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