UCSF

ZINC33526073

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 39 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) 5.42 16.05 -60.8 0 6 -1 79 518.589 10
Lo Low (pH 4.5-6) 5.42 14.76 -22.57 1 6 0 76 519.597 10

Activity (Go SEA)

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