UCSF

ZINC57418599

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 14 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) 3.66 8.62 -15.5 1 1 0 4 212.744 4
Mid Mid (pH 6-8) 3.66 8.27 -2.93 0 1 0 3 211.736 4

Activity (Go SEA)

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