UCSF

ZINC20200841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.04 2.98 -37.79 4 4 1 60 293.431 6
Mid Mid (pH 6-8) 3.04 3.71 -33.37 4 4 1 57 293.431 6
Lo Low (pH 4.5-6) 3.04 4.87 -117.93 5 4 2 61 294.439 6

Activity (Go SEA)

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