UCSF

ZINC35138639

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) 2.13 4.35 -44.31 3 4 1 49 276.404 7
Lo Low (pH 4.5-6) 2.13 6.68 -119.52 4 4 2 50 277.412 7

Activity (Go SEA)

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