UCSF

ZINC34958503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) -0.01 1.44 -13.11 3 6 0 94 258.281 5
Lo Low (pH 4.5-6) -0.01 1.78 -35.39 4 6 1 95 259.289 5

Activity (Go SEA)

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