UCSF

ZINC19431904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.90 3.65 -9.4 3 5 0 75 222.292 5
Mid Mid (pH 6-8) 0.90 3.96 -37.34 4 5 1 76 223.3 5

Activity (Go SEA)

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