UCSF

ZINC25806539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 35 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) 4.68 8.9 -10.34 2 8 0 83 499.011 9
Mid Mid (pH 6-8) 4.68 10.97 -43.07 3 8 1 84 500.019 9

Activity (Go SEA)

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