UCSF

ZINC25147211

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 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) 0.69 2.71 -25.74 2 9 0 122 403.416 5
Hi High (pH 8-9.5) 1.59 1.65 -54.37 1 9 -1 125 402.408 5

Activity (Go SEA)

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