UCSF

ZINC43444845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 0.19 0.15 -8.02 3 5 0 85 210.233 5
Lo Low (pH 4.5-6) 0.19 0.55 -33.73 4 5 1 87 211.241 5

Activity (Go SEA)

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