UCSF

ZINC37304379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.52 6.57 -42.78 2 4 1 52 353.183 7
Mid Mid (pH 6-8) 3.52 5.33 -7.68 1 4 0 48 352.175 7

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Rings

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