UCSF

ZINC55149348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 2.37 5.65 -52.19 2 7 -1 108 321.353 8
Lo Low (pH 4.5-6) 2.37 3.67 -16.12 3 7 0 105 322.361 8

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Rings

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