UCSF

ZINC17180903

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 29 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) 4.45 12.64 -63.18 0 4 -1 60 380.423 5
Lo Low (pH 4.5-6) 4.45 11.75 -13.65 1 4 0 58 381.431 5

Activity (Go SEA)

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