UCSF

ZINC55669370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 24 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) 0.52 8.75 -63.16 1 6 1 60 327.408 4
Mid Mid (pH 6-8) 0.52 6.55 -17.59 0 6 0 58 326.4 4

Activity (Go SEA)

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