UCSF

ZINC06813281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 No

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) 2.77 7.81 -57.41 0 6 -1 83 388.827 7
Mid Mid (pH 6-8) 2.77 7 -13.37 1 6 0 80 389.835 7

Activity (Go SEA)

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