UCSF

ZINC13915394

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 34 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) 4.39 12.07 -26.17 1 8 0 100 471.55 10
Mid Mid (pH 6-8) 4.51 10.43 -14.21 0 8 0 101 471.55 10

Activity (Go SEA)

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