UCSF

ZINC34668136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 3.22 8.85 -49.53 2 5 1 50 342.463 5
Mid Mid (pH 6-8) 3.22 6.64 -8.77 1 5 0 49 341.455 5

Activity (Go SEA)

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