UCSF

ZINC26511345

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 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) 2.46 3.94 -7.22 3 3 0 55 167.256 4
Lo Low (pH 4.5-6) 2.46 4.05 -29.87 4 3 1 56 168.264 4

Activity (Go SEA)

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