UCSF

ZINC43426412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.76 6.69 -6.34 0 3 0 30 293.432 3
Lo Low (pH 4.5-6) 2.76 8.84 -34.26 1 3 1 31 294.44 3

Activity (Go SEA)

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