UCSF

ZINC17396537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 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) 3.09 4.72 -20.42 3 10 0 132 485.518 9
Hi High (pH 8-9.5) 3.09 4.79 -53.78 2 10 -1 134 484.51 9

Activity (Go SEA)

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