UCSF

ZINC21634212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 3.19 6.82 -65.58 2 6 1 71 440.948 5
Mid Mid (pH 6-8) 3.19 7.64 -19.4 1 6 0 70 439.94 5

Activity (Go SEA)

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