UCSF

ZINC59628767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 18 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) 3.56 10.13 -128.93 0 4 -2 80 254.326 7
Mid Mid (pH 6-8) 3.56 8.02 -48.62 1 4 -1 77 255.334 7

Activity (Go SEA)

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