UCSF

ZINC55033478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 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) 2.38 4.98 -35.32 3 2 1 37 226.315 5
Hi High (pH 8-9.5) 2.38 3.69 -3.37 2 2 0 32 225.307 5

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Rings

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