UCSF

ZINC37840641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 1.44 2.39 -10.5 1 5 0 66 245.348 5
Mid Mid (pH 6-8) 1.44 2.43 -13.26 1 5 0 66 245.348 5

Activity (Go SEA)

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