UCSF

ZINC53634232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.50 4.97 -6.56 2 3 0 53 229.308 1
Lo Low (pH 4.5-6) 2.50 5.35 -32.44 3 3 1 54 230.316 1

Activity (Go SEA)

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