UCSF

ZINC37827754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.04 5.38 -55.82 0 6 -1 77 290.343 6
Mid Mid (pH 6-8) -0.04 7.6 -86.8 1 6 0 78 291.351 6

Activity (Go SEA)

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