UCSF

ZINC35274232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 36 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) 4.74 13.62 -69.39 1 7 0 83 515.05 13
Lo Low (pH 4.5-6) 4.74 12.85 -53.81 2 7 1 81 516.058 13

Activity (Go SEA)

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