UCSF

ZINC37824370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.69 0.59 -43.96 3 6 1 75 232.304 8
Hi High (pH 8-9.5) -0.69 -0.85 -14.34 2 6 0 71 231.296 8

Activity (Go SEA)

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