UCSF

ZINC33779582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 8.60 18.71 -16.13 0 4 0 48 485.008 4
Ref Reference (pH 7) 8.60 16.98 -15.18 0 4 0 48 485.008 4
Lo Low (pH 4.5-6) 8.60 17.4 -30.25 1 4 1 49 486.016 4
Lo Low (pH 4.5-6) 8.60 19.04 -28.77 1 4 1 49 486.016 4

Activity (Go SEA)

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