UCSF

ZINC39127728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 23 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) 5.92 8.12 -8.48 2 3 0 45 367.301 3
Lo Low (pH 4.5-6) 5.92 8.51 -28.6 3 3 1 46 368.309 3

Activity (Go SEA)

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