UCSF

ZINC33492994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 38 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) 5.53 15.79 -57.44 1 6 0 74 512.65 12
Lo Low (pH 4.5-6) 5.53 14.66 -53.46 2 6 1 71 513.658 12

Activity (Go SEA)

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