UCSF

ZINC24251283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 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) 1.78 3.97 -14.75 1 7 0 65 366.849 3
Lo Low (pH 4.5-6) 1.78 6.12 -49.46 2 7 1 66 367.857 3

Activity (Go SEA)

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