UCSF

ZINC02628350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 21 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) 3.47 7.51 -61.75 2 4 0 46 304.801 5
Mid Mid (pH 6-8) 3.47 7.44 -8.56 1 4 0 45 303.793 5

Activity (Go SEA)

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