UCSF

ZINC34804522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 31 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) -3.73 -6.74 -239.07 6 18 -3 290 503.174 8
Mid Mid (pH 6-8) -3.73 -5.63 -376.66 5 18 -4 293 502.166 8

Activity (Go SEA)

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