UCSF

ZINC34829609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.02 14.38 -13.82 0 6 0 53 531.722 8
Mid Mid (pH 6-8) 5.02 16.09 -47.72 1 6 1 54 532.73 8

Activity (Go SEA)

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