UCSF

ZINC35344098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 1.75 5.02 -40.83 3 4 1 47 249.363 1
Mid Mid (pH 6-8) 1.75 2.67 -4.75 2 4 0 45 248.355 1

Activity (Go SEA)

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