UCSF

ZINC57095720

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 35 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) 6.77 13.65 -9.27 0 4 0 38 477.53 6
Mid Mid (pH 6-8) 6.77 15.87 -49.19 1 4 1 39 478.538 6

Activity (Go SEA)

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