UCSF

ZINC25250366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 23 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) 0.91 5 -14.85 1 7 0 88 310.313 2
Mid Mid (pH 6-8) 1.37 3.23 -50.39 0 7 -1 91 309.305 2

Activity (Go SEA)

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