UCSF

ZINC34560538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 4.85 10.91 -45.09 3 6 1 70 433.661 15
Mid Mid (pH 6-8) 4.85 8.77 -10.59 2 6 0 69 432.653 15

Activity (Go SEA)

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