UCSF

ZINC16742164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 6.05 12.93 -11.4 1 5 0 71 465.549 6
Mid Mid (pH 6-8) 5.46 13.63 -17.84 0 5 0 68 465.549 6

Activity (Go SEA)

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