UCSF

ZINC48694764

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 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) 2.72 7.11 -54.25 2 4 1 57 266.752 5
Mid Mid (pH 6-8) 2.72 5.12 -15.36 1 4 0 56 265.744 5

Activity (Go SEA)

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