UCSF

ZINC52254260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 20 No

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) 3.19 7.27 -6.83 1 3 0 47 280.27 5
Hi High (pH 8-9.5) 3.19 7.77 -49.82 0 3 -1 49 279.262 5

Activity (Go SEA)

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