UCSF

ZINC56695828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 16 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) 2.42 1.05 -44.55 1 3 -1 56 250.324 1
Lo Low (pH 4.5-6) 1.96 3.13 -8.65 2 3 0 53 251.332 1

Activity (Go SEA)

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