UCSF

ZINC35520191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 4.48 10.77 -54.63 0 6 -1 79 454.518 11
Lo Low (pH 4.5-6) 4.48 10 -12.02 1 6 0 76 455.526 11

Activity (Go SEA)

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