UCSF

ZINC20125283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.72 0.11 -50.45 5 5 1 86 267.349 6
Hi High (pH 8-9.5) 1.72 -0.9 -11.56 4 5 0 82 266.341 6

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Rings

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