UCSF

ZINC35633308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.05 2.5 -51.34 3 4 1 63 297.322 6
Hi High (pH 8-9.5) 2.05 1.33 -8.85 2 4 0 58 296.314 6

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Rings

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