UCSF

ZINC57429594

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 16 Yes

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) 2.01 5.78 -15.62 5 3 0 56 221.348 5
Mid Mid (pH 6-8) 2.01 5.93 -28.87 4 3 1 55 220.34 5

Activity (Go SEA)

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