UCSF

ZINC37821873

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 3.11 -43.65 4 5 1 77 264.349 6
Mid Mid (pH 6-8) 0.31 2.82 -13.07 3 5 0 75 263.341 6

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Rings

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