UCSF

ZINC12402236

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 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) 1.64 0.89 -21.41 3 7 0 112 429.455 1
Lo Low (pH 4.5-6) 1.64 1 -73.29 4 7 1 113 430.463 1

Activity (Go SEA)

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