UCSF

ZINC34638676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 12 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) -0.29 2.51 -6.94 2 4 0 69 173.212 5
Mid Mid (pH 6-8) -0.29 3.07 -45.26 3 4 1 71 174.22 5

Activity (Go SEA)

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