UCSF

ZINC34691733

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 2.67 7.77 -10.51 0 5 0 36 411.521 5
Mid Mid (pH 6-8) 2.67 9.93 -47.92 1 5 1 37 412.529 5

Activity (Go SEA)

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