UCSF

ZINC35017048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 2.63 6.31 -11.12 3 5 0 71 320.414 7
Mid Mid (pH 6-8) 1.88 5.22 -35.5 2 5 -1 77 319.406 6

Activity (Go SEA)

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