UCSF

ZINC33587069

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 6.05 13.27 -60.12 0 6 -1 86 471.558 5
Lo Low (pH 4.5-6) 6.05 12.45 -14.97 1 6 0 84 472.566 5

Activity (Go SEA)

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