UCSF

ZINC36099680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 2.44 6.34 -43.43 2 4 1 43 332.411 11
Hi High (pH 8-9.5) 2.44 4.3 -6.37 1 4 0 42 331.403 11

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Rings

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