UCSF

ZINC51593728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 26 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) -0.22 6.44 -61.86 2 9 1 100 364.426 6
Mid Mid (pH 6-8) -0.22 4.24 -22.24 1 9 0 99 363.418 6

Activity (Go SEA)

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