UCSF

ZINC37815805

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.93 -2.46 -36.82 5 6 1 100 218.277 6
Mid Mid (pH 6-8) -0.93 -2.81 -10.09 4 6 0 99 217.269 6

Activity (Go SEA)

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