UCSF

ZINC35808044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 5.01 10.66 -10.93 1 4 0 45 497.998 9
Mid Mid (pH 6-8) 5.01 13.38 -58.9 2 4 1 46 499.006 9

Activity (Go SEA)

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