UCSF

ZINC37801835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.78 8.84 -41.41 2 3 1 37 291.39 6
Hi High (pH 8-9.5) 2.78 7.66 -7.48 1 3 0 32 290.382 6

Activity (Go SEA)

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